SCHEMBL5952983

SCHEMBL5952983

Cc1cc2nc(-c3cc(-c4ccccc4)[nH]n3)[nH]c2cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.58
METAP2 P50579 1/20 0.58
CBFB Q13951 1/20 0.58
ADORA3 P0DMS8 1/20 0.56
RAB9A P51151 3/20 0.53
POLB P06746 1/20 0.53
GUSB P08236 5/20 0.46
NPC1 O15118 2/20 0.45
ATM Q13315 1/20 0.45
ERAP1 Q9NZ08 1/20 0.45
HPGDS O60760 1/20 0.44
HPSE Q9Y251 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
COMT P21964 1/20 0.44
AMY1A P0DUB6 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5951473 0.86 RAB9A (0.50) METAP1METAP2CBFBADORA3RAB9A
SCHEMBL5952857 0.85 RAB9A (0.51) METAP1METAP2CBFBRAB9APOLB
SCHEMBL1789360 0.84 RAB9A (0.60) METAP1METAP2RAB9APOLBNPC1
SCHEMBL3337332 0.82 METAP2 (0.62) METAP1METAP2CBFBADORA3RAB9A
SCHEMBL5951760 0.81 MEN1 (0.52) METAP1METAP2CBFBADORA3RAB9A
SCHEMBL17268762 0.81 POLB (0.47) METAP1METAP2CBFBADORA3RAB9A
SCHEMBL17268732 0.81 GUSB (0.47) METAP1METAP2CBFBADORA3RAB9A
SCHEMBL17268747 0.81 GUSB (0.47) METAP1METAP2CBFBADORA3RAB9A
SCHEMBL15701353 0.80 RAB9A (0.50) METAP1METAP2CBFBRAB9APOLB
SCHEMBL24075313 0.79 HPSE (0.61) METAP1METAP2CBFBADORA3RAB9A

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
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US claimed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP claimed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US claimed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO claimed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 METAP1 3011/4885METAP2 3625/4885CBFB 3643/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A METAP1 1932/4885METAP2 3741/4885CBFB 4136/4885

“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.