SCHEMBL4569786

SCHEMBL4569786

CC(C)c1cnc2c(c1)CC(=O)N2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.54
CHEK1 O14757 1/20 0.54
AURKA O14965 1/20 0.54
DAPK3 O43293 1/20 0.54
PRKD3 O94806 1/20 0.54
MAP4K4 O95819 1/20 0.54
NTRK1 P04629 1/20 0.54
CSF1R P07333 1/20 0.54
RET P07949 1/20 0.54
MET P08581 1/20 0.54
PDGFRB P09619 1/20 0.54
PIM1 P11309 1/20 0.54
FGFR1 P11362 1/20 0.54
PDGFRA P16234 1/20 0.54
FLT1 P17948 1/20 0.54
LTK P29376 1/20 0.54
GRK5 P34947 1/20 0.54
KDR P35968 1/20 0.54
MAP2K2 P36507 1/20 0.54
FLT3 P36888 1/20 0.54

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
SCHEMBL10257902 0.85 CRBN (0.48) ABL1CHEK1AURKADAPK3PRKD3
SCHEMBL19710787 0.84 ABL1 (0.49) ABL1CHEK1AURKADAPK3PRKD3
SCHEMBL16941450 0.83 MB (0.38) ABL1CHEK1AURKADAPK3PRKD3
SCHEMBL16941385 0.81 CHEK1 (0.36) ABL1CHEK1AURKADAPK3PRKD3
SCHEMBL16941381 0.80 PIK3CG (0.37) ABL1CHEK1AURKADAPK3PRKD3
SCHEMBL12396713 0.80 CHEK1 (0.33) ABL1CHEK1AURKADAPK3PRKD3
SCHEMBL16941452 0.79 MB (0.35) ABL1CHEK1AURKADAPK3PRKD3
SCHEMBL728499 0.77 ABL1 (0.58) ABL1CHEK1AURKADAPK3PRKD3
SCHEMBL16941391 0.76 CYP11B1 (0.35) ABL1CHEK1AURKADAPK3PRKD3
SCHEMBL14050975 0.75 NNMT (0.37) ABL1CHEK1AURKADAPK3PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030878-B2 Substituted indole ether compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 US disclosed
US-20240067638-A1 IMIDAZO[1,2-A]PYRIDINE AND [1,2,4]TRIAZOLO[1,5-A]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2024-02-29 US disclosed
US-11912703-B2 6-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-27 US disclosed
US-11820768-B2 4-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-21 US disclosed
US-20230322770-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL MYERS SQUIBB CO (US) 2023-10-12 US disclosed
US-20230312565-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2023-10-05 US disclosed
US-20230295122-A1 1H-BENZO[D]IMIDAZOLE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2023-09-21 US disclosed
US-11739098-B2 Substituted indole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-29 US disclosed
US-20230139171-A1 SYSTEM AND METHOD FOR INSTRUCTING ONE OR MORE WEATHER DRONES SITA INFORMATION NETWORKING COMPUTING UK LIMITED (GB) 2023-05-04 US disclosed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US disclosed
US-8158624-B2 Purine PI3K inhibitor compounds and methods of use GENETECH, INC. (US) 2012-04-17 US disclosed
US-20120035208-A1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2012-02-09 US disclosed
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same BERMAN JUDD M (CA) 2012-01-12 US disclosed
US-20110301161-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-08 US disclosed
US-20110301161-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-08 US disclosed
US-20110172216-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-07-14 US disclosed
US-7879872-B2 comprising (E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide or pharmaceutically acceptable salts thereof; and gentamicin; wherein combination has an fractional inhibitory coconcentration index value of 0.3 against S. aureus 29213 AFFINIUM PHARMACEUTICALS, INC. (CA) 2011-02-01 US disclosed
EP-1633750-B1 SYNTHESIS OF 5-SUBSTITUTED 7-AZAINDOLES AND 7-AZAINDOLINES EISAI R&D MAN CO LTD (JP) 2010-12-01 EP disclosed
US-20090318411-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2009-12-24 US disclosed
WO-2009003999-A2 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-08 WO 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-11820768-B2 4-azaindole compounds TLR7, TLR9, TLR5 ABL1 564/4885CHEK1 2955/4885AURKA 3214/4885
US-20110301161-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTC4S, LTB4R, LTB4R2 ABL1 217/4885CHEK1 4264/4885AURKA 4116/4885
US-20230295122-A1 1H-BENZO[D]IMIDAZOLE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS TLR9, TLR1, TLR7 ABL1 1590/4885CHEK1 2348/4885AURKA 4250/4885
US-20090318411-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG ABL1 986/4885CHEK1 281/4885AURKA 1106/4885
US-20120035208-A1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PI4KA ABL1 568/4885CHEK1 329/4885AURKA 760/4885
US-11912703-B2 6-azaindole compounds TLR7, TLR9, TLR5 ABL1 541/4885CHEK1 2851/4885AURKA 3648/4885
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same DBI, SERPINB1, CTSF ABL1 433/4885CHEK1 3908/4885AURKA 1410/4885
US-20110172216-A1 PYRAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PI4KA ABL1 700/4885CHEK1 214/4885AURKA 631/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 ABL1 2158/4885CHEK1 2720/4885AURKA 3154/4885
US-20230322770-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 TLR9, TLR3, TLR1 ABL1 116/4885CHEK1 1208/4885AURKA 4474/4885
US-20230312565-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS TLR9, TLR1, TLR7 ABL1 2171/4885CHEK1 2813/4885AURKA 4446/4885
US-20240067638-A1 IMIDAZO[1,2-A]PYRIDINE AND [1,2,4]TRIAZOLO[1,5-A]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS TLR9, TLR1, TLR7 ABL1 847/4885CHEK1 2639/4885AURKA 3128/4885
US-12030878-B2 Substituted indole ether compounds TLR7, TLR8, TLR1 ABL1 472/4885CHEK1 2912/4885AURKA 3579/4885
US-11739098-B2 Substituted indole compounds TLR7, TLR1, HTR7 ABL1 733/4885CHEK1 2844/4885AURKA 4806/4885

“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.