SCHEMBL10220446

SCHEMBL10220446

CC(C)(C)c1ncnc2sccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.53
▸ AURKA O14965 1/20 0.53
▸ DAPK3 O43293 1/20 0.53
▸ JAK2 O60674 1/20 0.53
▸ MAP4K4 O95819 1/20 0.53
▸ ABL1 P00519 1/20 0.53
▸ NTRK1 P04629 1/20 0.53
▸ LCK P06239 1/20 0.53
▸ FYN P06241 1/20 0.53
▸ CSF1R P07333 1/20 0.53
▸ RET P07949 1/20 0.53
▸ IGF1R P08069 1/20 0.53
▸ MET P08581 1/20 0.53
▸ PDGFRB P09619 1/20 0.53
▸ PIM1 P11309 1/20 0.53
▸ FGFR1 P11362 1/20 0.53
▸ PRKACA P17612 1/20 0.53
▸ LTK P29376 1/20 0.53
▸ KDR P35968 1/20 0.53
▸ MAP2K2 P36507 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22964772 0.82 CHEK1 (0.47) CHEK1AURKADAPK3JAK2MAP4K4
SCHEMBL13064189 0.82 CHEK1 (0.47) CHEK1AURKADAPK3JAK2MAP4K4
SCHEMBL14262877 0.81 CHEK1 (0.34) CHEK1AURKADAPK3JAK2MAP4K4
SCHEMBL20609561 0.80 CHEK1 (0.45) CHEK1AURKADAPK3JAK2MAP4K4
SCHEMBL14262869 0.74 CHEK1 (0.31) CHEK1AURKADAPK3JAK2MAP4K4
SCHEMBL8018832 0.74 CHEK1 (0.59) CHEK1AURKADAPK3JAK2MAP4K4
SCHEMBL15627224 0.72 MAPK1 (0.49) CHEK1AURKADAPK3JAK2MAP4K4
SCHEMBL10139174 0.72 ADORA2A (0.36) CHEK1AURKADAPK3JAK2MAP4K4
SCHEMBL2843606 0.71 CHEK1 (0.61) CHEK1AURKADAPK3JAK2MAP4K4
SCHEMBL10295523 0.71 CHEK1 (0.41) CHEK1AURKADAPK3JAK2MAP4K4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117898-A1 O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLYCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. 2023-04-20 — — US disclosed
US-11208411-B2 Compositions and methods for treating parasitic diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-12-28 — — US disclosed
US-11021467-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2021-06-01 — — US disclosed
US-11021457-B2 Class of isoindolone-imide ring-1,3-dione-2-ene compounds, composition and use thereof Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2021-06-01 — — US disclosed
US-20210040080-A1 O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLYCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. 2021-02-11 — — US disclosed
US-20200291030-A1 COMPOSITIONS AND METHODS FOR TREATING PARASITIC DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-09-17 — — US disclosed
WO-2020185593-A1 AZETIDINYL 0-GLYC0PR0TEIN-2-ACETAMID0-2-DEOXY-3-D-GLUC0PYRAN0SIDASE INHIBITORS BIOGEN MA INC. (US) 2020-09-17 — — WO disclosed
US-20200071291-A1 A CLASS OF ISOINDOLONE-IMIDE RING-1,3-DIONE-2-ENE COMPOUNDS, COMPOSITION AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2020-03-05 — — US disclosed
WO-2019178191-A1 O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLYCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. (US) 2019-09-19 — — WO disclosed
US-10308639-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2019-06-04 — — US disclosed
US-7863291-B2 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 — — US disclosed
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2010-12-30 — — US disclosed
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 — — US disclosed
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2010-12-30 — — US disclosed
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 — — US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 — — US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 — — US disclosed
US-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-29 — — US disclosed
US-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-29 — — US disclosed
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia RIGEL PHARMACEUTICALS, INC. (US) 2008-08-07 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 CHEK1 1367/4885AURKA 2507/4885DAPK3 1666/4885
US-20230117898-A1 O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLYCOPYRANOSIDASE INHIBITORS MGAT3, ST3GAL3, ST6GAL1 CHEK1 4286/4885AURKA 4073/4885DAPK3 3208/4885
US-20200291030-A1 COMPOSITIONS AND METHODS FOR TREATING PARASITIC DISEASES LIPA, LSS, LIPC CHEK1 4823/4885AURKA 3451/4885DAPK3 3189/4885
US-10308639-B2 Phosphatidylinositol 3-kinase inhibitors PIK3CA, AKT3, AKT2 CHEK1 323/4885AURKA 344/4885DAPK3 489/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 CHEK1 1367/4885AURKA 2507/4885DAPK3 1666/4885
US-11208411-B2 Compositions and methods for treating parasitic diseases LIPA, LSS, LIPC CHEK1 4823/4885AURKA 3451/4885DAPK3 3189/4885
US-20200071291-A1 A CLASS OF ISOINDOLONE-IMIDE RING-1,3-DIONE-2-ENE COMPOUNDS, COMPOSITION AND USE THEREOF ATG7, MLST8, BECN1 CHEK1 4264/4885AURKA 2274/4885DAPK3 720/4885
US-11021457-B2 Class of isoindolone-imide ring-1,3-dione-2-ene compounds, composition and use thereof ATG7, MLST8, BECN1 CHEK1 4385/4885AURKA 2709/4885DAPK3 729/4885
US-20090029991-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 CHEK1 708/4885AURKA 1191/4885DAPK3 2961/4885
US-20100331329-A1 BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC4 CHEK1 260/4885AURKA 1399/4885DAPK3 2043/4885
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 CHEK1 2329/4885AURKA 3994/4885DAPK3 1884/4885
US-20210040080-A1 O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLYCOPYRANOSIDASE INHIBITORS MGAT3, ST6GAL1, ST3GAL3 CHEK1 4299/4885AURKA 4215/4885DAPK3 3432/4885
US-11021467-B2 Phosphatidylinositol 3-kinase inhibitors PIK3CA, PIK3C2B, PIK3CB CHEK1 328/4885AURKA 294/4885DAPK3 564/4885
US-20080188474-A1 e.g. 1-phenyl-N3-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine; receptor protein tyrosine kinase (AXL) antagonist; antiinflammatory, anticarcinogenic , antidiabetic agent; rheumatoid arthritis, vascular disease; breast, renal, endometrial, ovarian carcinoma, or myeloid leukemia AXL, TYRO3, FLT3 CHEK1 1273/4885AURKA 1089/4885DAPK3 24/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback