SCHEMBL5953097

SCHEMBL5953097

Cc1cc2nc(-c3n[nH]cc3NC(=O)NCc3ccccc3)[nH]c2cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ITK Q08881 1/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPK1 P28482 3/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GSK3B P49841 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 2/20 0.41
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
MEN1 O00255 2/20 0.40

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
SCHEMBL5951681 0.86 SMN1; SMN2 (0.47) HPSESMN1; SMN2KDM4EMAPK1ALDH1A1
SCHEMBL5951486 0.86 HPSE (0.60) HPSESMN1; SMN2ITKKDM4EGAA
SCHEMBL5952921 0.86 HPSE (0.47) HPSEITKKDM4EALDH1A1RAB9A
SCHEMBL5951506 0.83 HPSE (0.45) HPSESMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL13374046 0.83 MMP2 (0.48) HPSEMAPK1MAPT
SCHEMBL5952107 0.82 HPSE (0.50) HPSESMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL5951652 0.81 HPSE (0.43) HPSESMN1; SMN2KDM4EMAPK1ALDH1A1
SCHEMBL4826377 0.81 AURKA (0.51) SMN1; SMN2ITKROCK2ROCK1KDM4E
SCHEMBL5953713 0.80 HPSE (0.49) HPSESMN1; SMN2KDM4EGAAALDH1A1
SCHEMBL5953012 0.79 HPSE (0.47) HPSESMN1; SMN2ITKKDM4EALDH1A1

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 13 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-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 HPSE 4165/4885SMN1; SMN2 4210/4885CYP1A2 354/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A HPSE 4456/4885SMN1; SMN2 3516/4885CYP1A2 283/4885

“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.