SCHEMBL5951979

SCHEMBL5951979

Cc1cc2nc(-c3n[nH]c4c3CNCC4)[nH]c2cc1C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.45
HTR7 P34969 3/20 0.41
HTR1D P28221 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR1E P28566 1/20 0.40
HTR2B P41595 1/20 0.40
HTR6 P50406 1/20 0.40
METAP1 P53582 2/20 0.39
METAP2 P50579 1/20 0.39
CBFB Q13951 1/20 0.39
AMY1A P0DUB6 3/20 0.39
FABP6 P51161 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
GUSB P08236 1/20 0.38

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
SCHEMBL5952867 0.90 SOS1 (0.47) SOS1HTR7HTR1DHTR2AHTR2C
SCHEMBL6284702 0.86 HTR7 (0.46) SOS1HTR7HTR1DHTR2AHTR2C
SCHEMBL5952112 0.84 MAPT (0.46) METAP1METAP2CBFBAMY1AFABP6
SCHEMBL5952714 0.84 MAPT (0.49) METAP1METAP2CBFBAMY1AFABP6
SCHEMBL5952998 0.83 MAPT (0.44) METAP1METAP2CBFBAMY1AFABP6
SCHEMBL5952436 0.79 PDPK1 (0.43) SOS1HTR7HTR1DHTR2AHTR2C
SCHEMBL5952717 0.79 ITK (0.42) METAP1METAP2CBFBAMY1AFABP6
SCHEMBL4947379 0.76 AURKA (0.55) SOS1
SCHEMBL3457670 0.74 ATM (0.40) METAP1METAP2CBFBAMY1AFABP6
SCHEMBL6664934 0.74 CYP2C19 (0.37) METAP1METAP2CBFBAMY1A

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 12 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-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
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 SOS1 3406/4885HTR7 2728/4885HTR1D 3771/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A SOS1 2292/4885HTR7 3614/4885HTR1D 2149/4885

“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.