SCHEMBL5952765

SCHEMBL5952765

COc1ccc2[nH]c(-c3n[nH]cc3N)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
TP53 P04637 3/20 0.48
HPGD P15428 3/20 0.48
PKM P14618 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 2/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 4/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 4/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MAPT P10636 3/20 0.43
CYP1A2 P05177 1/20 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
SCHEMBL5952258 0.86 MAPT (0.47) NPC1ALDH1A1KMT2AMEN1TP53
SCHEMBL30061331 0.83 RAB9A (0.45) NPC1ALDH1A1KMT2AMEN1TP53
SCHEMBL28500913 0.83 RAB9A (0.45) NPC1ALDH1A1KMT2AMEN1TP53
SCHEMBL5951426 0.83 CBFB (0.47) NPC1KMT2ATP53PKMSMN1; SMN2
SCHEMBL5952993 0.83 FGFR1 (0.35) NPC1ALDH1A1KMT2AMEN1TP53
SCHEMBL28500114 0.82 NPC1 (0.56) NPC1ALDH1A1KMT2AMEN1TP53
SCHEMBL1170729 0.81 ALDH1A1 (0.57) NPC1ALDH1A1KMT2AMEN1TP53
SCHEMBL546495 0.81 AMY1A (0.46) NPC1ALDH1A1KMT2AMEN1TP53
SCHEMBL28498751 0.81 SMN1; SMN2 (0.38) NPC1ALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL30061152 0.81 SMN1; SMN2 (0.38) NPC1ALDH1A1HPGDSMN1; SMN2RAB9A

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 14 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
CN-112047932-B Pyrazole spleen tyrosine kinase inhibitor and preparation method and application thereof 中国药科大学 2022-11-08 CN disclosed
CN-112047932-A Pyrazole spleen tyrosine kinase inhibitor and preparation method and application thereof 中国药科大学 2020-12-08 CN 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 NPC1 3302/4885ALDH1A1 1389/4885KMT2A 1678/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A NPC1 2551/4885ALDH1A1 862/4885KMT2A 1844/4885

“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.