SCHEMBL5951740

SCHEMBL5951740

Cc1ccc(-c2ccc3nc(-c4[nH]nc5ccccc45)[nH]c3c2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
NPBWR1 P48145 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
PKM P14618 2/20 0.45
HPGD P15428 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
CDK2 P24941 4/20 0.43
CDK4 P11802 3/20 0.43
CCNA2 P20248 3/20 0.43
CCND1 P24385 3/20 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
SCHEMBL5952686 0.89 NPC1 (0.50) PDE10ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5951759 0.88 PDE10A (0.49) PDE10ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5952146 0.87 PDE10A (0.53) PDE10ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4916396 0.87 PDE10A (0.53) PDE10ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5953158 0.87 PDE10A (0.51) PDE10ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5952657 0.87 NPC1 (0.50) PDE10ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5953232 0.84 ITK (0.52) PDE10ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5952104 0.84 NPC1 (0.52) PDE10ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5951223 0.84 MEN1 (0.50) PDE10ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5952873 0.83 CNR1 (0.56) PDE10ANPC1RAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US claimed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US claimed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US 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-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-29 US disclosed
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-29 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
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US 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 (3 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 PDE10A 294/4885NPC1 3302/4885RAB9A 810/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A PDE10A 451/4885NPC1 2551/4885RAB9A 955/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 PDE10A 3290/4885NPC1 4816/4885RAB9A 3809/4885

“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.