SCHEMBL5952657

SCHEMBL5952657

Cc1ccccc1-c1ccc2nc(-c3[nH]nc4ccccc34)[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NMT2 O60551 1/20 0.49
NMT1 P30419 1/20 0.49
KDR P35968 5/20 0.48
CDK4 P11802 5/20 0.48
CCNA2 P20248 5/20 0.48
CCND1 P24385 5/20 0.48
CDK2 P24941 5/20 0.48
CCND3 P30281 5/20 0.48
CHEK1 O14757 4/20 0.48
PDE10A Q9Y233 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL5952326 0.88 NMT1 (0.50) NPC1RAB9ASMN1; SMN2NMT1KDR
SCHEMBL5951245 0.87 KDR (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL5951740 0.87 PDE10A (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL5952686 0.85 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1HTT
SCHEMBL5951759 0.84 PDE10A (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL4916396 0.84 PDE10A (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL5952146 0.84 PDE10A (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL5953158 0.83 PDE10A (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL5952104 0.81 NPC1 (0.52) NPC1RAB9ASMN1; SMN2KDRCDK4
SCHEMBL5951223 0.81 MEN1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD

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 15 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
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-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
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 (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 NPC1 3302/4885RAB9A 810/4885SMN1; SMN2 4210/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A NPC1 2551/4885RAB9A 955/4885SMN1; SMN2 3516/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 NPC1 4816/4885RAB9A 3809/4885SMN1; SMN2 1094/4885

“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.