SCHEMBL5951473

SCHEMBL5951473

Cc1ccc2[nH]c(-c3cc(-c4ccccc4)[nH]n3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
POLB P06746 1/20 0.50
METAP2 P50579 2/20 0.45
METAP1 P53582 2/20 0.45
CBFB Q13951 2/20 0.45
P2RY6 Q15077 1/20 0.45
NPC1 O15118 4/20 0.44
PKM P14618 2/20 0.44
HPGDS O60760 1/20 0.43
COMT P21964 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 3/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GFER P55789 1/20 0.41
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL17268723 0.90 RAB9A (0.50) RAB9APOLBMETAP2METAP1CBFB
SCHEMBL5952983 0.86 METAP1 (0.58) RAB9APOLBMETAP2METAP1CBFB
SCHEMBL15701353 0.85 RAB9A (0.50) RAB9APOLBMETAP2METAP1CBFB
SCHEMBL1789360 0.85 RAB9A (0.60) RAB9APOLBMETAP2METAP1P2RY6
SCHEMBL5951760 0.84 MEN1 (0.52) RAB9APOLBMETAP2METAP1CBFB
SCHEMBL3336231 0.81 NPC1 (0.62) RAB9APOLBNPC1PKML3MBTL1
SCHEMBL17268731 0.81 RAB9A (0.52) RAB9APOLBNPC1TP53MAPT
SCHEMBL5952857 0.80 RAB9A (0.51) RAB9APOLBMETAP2METAP1CBFB
SCHEMBL17268724 0.77 NPC1 (0.56) RAB9ANPC1KDM4EMAPTHPGD
SCHEMBL17268730 0.77 NPC1 (0.42) RAB9AMETAP2METAP1CBFBNPC1

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 RAB9A 810/4885POLB 2261/4885METAP2 3625/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A RAB9A 955/4885POLB 2841/4885METAP2 3741/4885

“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.