SCHEMBL4053052

SCHEMBL4053052

Nc1ccc(-c2ccccc2)nc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K3 P46734 1/20 0.56
ASIC3 Q9UHC3 1/20 0.54
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
RAB9A P51151 3/20 0.52
ADORA2A P29274 5/20 0.50
ADORA1 P30542 4/20 0.50
HSP90AA1 P07900 2/20 0.50
AURKA O14965 1/20 0.50
PRKACA P17612 1/20 0.50
ACHE P22303 1/20 0.47
ALDH1A1 P00352 5/20 0.47
SMARCA2 P51531 1/20 0.45
SMARCA4 P51532 1/20 0.45
PBRM1 Q86U86 1/20 0.45
MAPT P10636 3/20 0.44
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL11228950 0.80 MAP2K3 (0.58) MAP2K3MEN1KMT2ARAB9AALDH1A1
SCHEMBL27839029 0.80 MAP2K3 (0.55) MAP2K3ASIC3MEN1KMT2ARAB9A
SCHEMBL27810693 0.78 MAP2K3 (0.53) MAP2K3ASIC3MEN1KMT2ARAB9A
SCHEMBL21857026 0.78 MAP2K3 (0.58) MAP2K3ASIC3MEN1KMT2ARAB9A
SCHEMBL5109756 0.78 MAP2K3 (0.53) MAP2K3ASIC3MEN1KMT2ARAB9A
SCHEMBL6618672 0.78 ALDH1A1 (0.55) MAP2K3ASIC3MEN1KMT2ARAB9A
SCHEMBL28247990 0.78 ASIC3 (0.50) MAP2K3ASIC3MEN1KMT2ARAB9A
SCHEMBL1463746 0.78 MAPT (0.47) MEN1KMT2ARAB9AADORA2AADORA1
SCHEMBL5526316 0.78 ASIC3 (0.50) MAP2K3ASIC3MEN1KMT2ARAB9A
SCHEMBL11230696 0.78 HSP90AA1 (0.59) MEN1HSP90AA1AURKAPRKACAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101374838-B 6-phenyl-1h-imidazo[4,5-c]pyridine-4-carbonitrile derivatives as cathepsin K and S inhibitors ORGANON NV 2013-04-03 CN disclosed
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
CN-101374838-A 6-phenyl-1h-imidazo[4,5-c]pyridine-4-carbonitrile derivatives as cathepsin k and s inhibitors ORGANON NV (NL) 2009-02-25 CN disclosed
WO-2009005638-A2 PYRIDYL AND PYRIMIDINYL DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2009-01-08 WO disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP disclosed
CN-1085666-C 6-aryl pyrido (2,3-d) pyrimidines and naphthyridines for inhibiting protein tyrosine kinase medicated cellular proliferation WARNER LAMBERT CO (US) 2002-05-29 CN disclosed
CN-1169726-A 6-aryl pyrido (2,3-d) pyrimidines and naphthyridines for inhibiting protein tyrosine kinase medicated cellular proliferation WARNER LAMBERT CO (US) 1998-01-07 CN 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 (1 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B MAP2K3 24/4885ASIC3 4745/4885MEN1 3709/4885

“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.