SCHEMBL5952409

SCHEMBL5952409

COc1cccc(CNC(=O)c2cccc3nc(-c4n[nH]c5ccccc45)[nH]c23)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.61
HPGD P15428 2/20 0.51
KDM4E B2RXH2 1/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 2/20 0.49
RAB9A P51151 1/20 0.49
MMP13 P45452 6/20 0.49
ROCK2 O75116 1/20 0.49
APEX1 P27695 1/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46

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
SCHEMBL5952424 0.89 MMP13 (0.47) SMN1; SMN2MMP13ROCK2
SCHEMBL5953304 0.88 SMN1; SMN2 (0.57) SMN1; SMN2KDM4EMAPTKMT2A
SCHEMBL5952675 0.86 PDPK1 (0.47) SMN1; SMN2MAPTLMNA
SCHEMBL5952503 0.86 KMT2A (0.52) SMN1; SMN2MAPTAPEX1LMNAGABRP
SCHEMBL5951853 0.86 SMN1; SMN2 (0.48) SMN1; SMN2HPGDALDH1A1MMP13LMNA
SCHEMBL5953264 0.85 FGFR1 (0.46) SMN1; SMN2MAPTROCK2
SCHEMBL5951941 0.84 PDPK1 (0.50) SMN1; SMN2HPGDLMNA
SCHEMBL5952802 0.84 SMN1; SMN2 (0.61) SMN1; SMN2USP2ALDH1A1MMP13ROCK2
SCHEMBL13373609 0.83 USP2 (0.49) SMN1; SMN2HPGDKDM4EUSP2ALDH1A1
SCHEMBL5951852 0.83 SMN1; SMN2 (0.48) SMN1; SMN2

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 SMN1; SMN2 4210/4885HPGD 1307/4885KDM4E 522/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A SMN1; SMN2 3516/4885HPGD 1623/4885KDM4E 645/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 SMN1; SMN2 1094/4885HPGD 3957/4885KDM4E 1025/4885

“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.