SCHEMBL4090008

SCHEMBL4090008

N#Cc1ccc2c(c1)c(-c1ccc3cc(C(=O)N4CCCC4)ccc3c1)nn2C1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.39
KDM1A O60341 2/20 0.38
EGLN2 Q96KS0 1/20 0.38
SCN7A Q01118 1/20 0.38
KCNH2 Q12809 1/20 0.38
FASN P49327 3/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
CCNC P24863 5/20 0.36
CDK8 P49336 5/20 0.36
CDK19 Q9BWU1 3/20 0.36
MAP4K2 Q12851 2/20 0.36

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
SCHEMBL4084335 0.91 RXRA (0.42) L3MBTL1RXRARXRBRXRG
SCHEMBL4084768 0.89 JAK2 (0.40) RXRARXRBRXRG
SCHEMBL4080192 0.85 RXRA (0.39) SCN7AKCNH2RXRARXRBRXRG
SCHEMBL5378043 0.85 RXRA (0.38) KDM1ASCN7ARXRARXRBRXRG
SCHEMBL4084834 0.85 EGLN1 (0.40) FASNL3MBTL1CNR2RXRARXRB
SCHEMBL4089930 0.85 RXRA (0.38) RXRARXRBRXRG
SCHEMBL4083268 0.83 RXRA (0.37) SCN7AKCNH2RXRARXRBRXRG
SCHEMBL4080434 0.83 RXRA (0.37) L3MBTL1RXRARXRBRXRG
SCHEMBL4094652 0.82 RAB9A (0.37) KDM1ARXRARXRBRXRG
SCHEMBL4088673 0.81 CMKLR1 (0.37) KCNH2RXRARXRBRXRG

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713773-A2 N-BENZYL-3,4-DIHYROXYPYRIDINE-2-CARBOXAMIDE AND N-BENZYL-2,3-DIHYDROXYPYRIDINE-4-CARBOXAMIDE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-10-25 EP claimed
WO-2005074513-A2 N-BENZYL-3,4-DIHYROXYPYRIDINE-2-CARBOXAMIDE AND N-BENZYL-2,3-DIHYDROXYPYRIDINE-4-CARBOXAMIDE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-08-18 WO claimed
EP-2065383-A1 Indazole compounds and methods of use thereof as protein kinase inhibitors Signal Pharmaceuticals, Inc. (US) 2009-06-03 EP disclosed
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF BHAGWAT SHRIPAD S 2009-04-16 US disclosed
EP-1713773-A2 N-BENZYL-3,4-DIHYROXYPYRIDINE-2-CARBOXAMIDE AND N-BENZYL-2,3-DIHYDROXYPYRIDINE-4-CARBOXAMIDE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-10-25 EP disclosed
EP-1692128-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2006-08-23 EP disclosed
US-20060004043-A1 Indazole compounds and methods of use thereof BHAGWAT SHRIPAD S 2006-01-05 US disclosed
WO-2005074513-A2 N-BENZYL-3,4-DIHYROXYPYRIDINE-2-CARBOXAMIDE AND N-BENZYL-2,3-DIHYDROXYPYRIDINE-4-CARBOXAMIDE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-08-18 WO disclosed
WO-2005051942-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2005-06-09 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 (2 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-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF WNT3, WNT3A, WNK3 CDK1 159/4885KDM1A 3862/4885EGLN2 3009/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 CDK1 153/4885KDM1A 3917/4885EGLN2 2823/4885

“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.