SCHEMBL11941345

SCHEMBL11941345

Cc1nscc1C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
CA2 P00918 1/20 0.31
POLB P06746 1/20 0.31
TYR P14679 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL13564375 0.75
SCHEMBL21720336 0.73
SCHEMBL21720326 0.73
SCHEMBL21720330 0.73 MPI (0.30)
SCHEMBL12601241 0.73 ALDH1A1 (0.39) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL25589042 0.71
SCHEMBL21720318 0.70 PTGS2 (0.33) CA2
SCHEMBL13209256 0.70
SCHEMBL9004258 0.69
SCHEMBL765337 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3956320-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2023-11-29 EP disclosed
US-11753393-B2 Dihydroorotate dehydrogenase inhibitors JANSSEN BIOTECH, INC. 2023-09-12 US disclosed
US-11753393-B2 Dihydroorotate dehydrogenase inhibitors JANSSEN BIOTECH, INC. 2023-09-12 US disclosed
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
US-11541044-B2 K-Ras modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-01-03 US disclosed
US-20220298137-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2022-09-22 US disclosed
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 US disclosed
EP-3967682-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2022-03-16 EP disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-20210196695-A1 K-RAS MODULATORS LEIDOS BIOMEDICAL RESEARCH, INC. 2021-07-01 US disclosed
US-8309685-B2 HCV protease inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2012-11-13 US disclosed
US-20120258967-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-10-11 US disclosed
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-08-02 US disclosed
US-20120190614-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-07-26 US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
US-20110230494-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
US-20110224432-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-15 US disclosed
US-20110117073-A1 Protein Kinase Conjugates and Inhibitors AVILA THERAPEUTICS, INC. (US) 2011-05-19 US disclosed
US-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES CHANG RONALD K 2010-08-05 US disclosed
US-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES CHANG RONALD K 2010-08-05 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 (15 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-11541044-B2 K-Ras modulators KRAS, HRAS, NRAS ALDH1A1 3574/4885CA2 4291/4885POLB 2539/4885
US-11753393-B2 Dihydroorotate dehydrogenase inhibitors DHODH, DLD, DPYD ALDH1A1 116/4885CA2 1433/4885POLB 621/4885
US-20120190614-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC ALDH1A1 1344/4885CA2 3859/4885POLB 3055/4885
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 ALDH1A1 1195/4885CA2 1738/4885POLB 2252/4885
US-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES ASIC1, ASIC3, TRPV1 ALDH1A1 2506/4885CA2 46/4885POLB 4854/4885
US-20220298137-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD ALDH1A1 116/4885CA2 1433/4885POLB 621/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK ALDH1A1 2583/4885CA2 3602/4885POLB 1191/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK ALDH1A1 894/4885CA2 3320/4885POLB 4045/4885
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B ALDH1A1 4394/4885CA2 1481/4885POLB 1437/4885
US-20120258967-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B ALDH1A1 4394/4885CA2 1481/4885POLB 1437/4885
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRNA5 ALDH1A1 2640/4885CA2 4010/4885POLB 3551/4885
US-20110224432-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ALDH1A1 684/4885CA2 3325/4885POLB 3726/4885
US-20210196695-A1 K-RAS MODULATORS KRAS, HRAS, NRAS ALDH1A1 3574/4885CA2 4291/4885POLB 2539/4885
US-20110230494-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ALDH1A1 684/4885CA2 3325/4885POLB 3726/4885
US-20110117073-A1 Protein Kinase Conjugates and Inhibitors MAP3K20, PACSIN2, MAP3K9 ALDH1A1 2862/4885CA2 1948/4885POLB 3755/4885

“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.