SCHEMBL5952151

SCHEMBL5952151

O=C(NCCc1ccccc1)c1cccc2nc(-c3n[nH]c4ccccc34)[nH]c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 2/20 0.55
NPC1 O15118 2/20 0.55
KDM4E B2RXH2 1/20 0.48
FGFR1 P11362 1/20 0.48
FLT1 P17948 1/20 0.48
FLT3 P36888 1/20 0.48
MAPK3 P27361 1/20 0.48
MAPK1 P28482 1/20 0.48
CHEK1 O14757 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
GSK3B P49841 1/20 0.46
MAPT P10636 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
ITK Q08881 1/20 0.44
TP53 P04637 1/20 0.43
LMNA P02545 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
SCHEMBL5953304 0.91 SMN1; SMN2 (0.57) SMN1; SMN2KDM4EFGFR1FLT1FLT3
SCHEMBL5952675 0.84 PDPK1 (0.47) SMN1; SMN2FGFR1FLT1FLT3MAPK3
SCHEMBL13373609 0.84 USP2 (0.49) RAB9ASMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL5952503 0.84 KMT2A (0.52) SMN1; SMN2FGFR1FLT1FLT3MAPK3
SCHEMBL5951852 0.83 SMN1; SMN2 (0.48) SMN1; SMN2FGFR1FLT1FLT3MAPK3
SCHEMBL5951853 0.83 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1FGFR1FLT1FLT3
SCHEMBL5953264 0.83 FGFR1 (0.46) SMN1; SMN2FGFR1FLT1FLT3CHEK1
SCHEMBL5951368 0.83 KDR (0.56) FGFR1FLT1FLT3CHEK1MAPT
SCHEMBL13373559 0.82 CSNK1D (0.49) SMN1; SMN2ALDH1A1NPC1KDM4EFGFR1
SCHEMBL13373599 0.82 FLT3 (0.49) SMN1; SMN2ALDH1A1KDM4EFGFR1FLT1

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 RAB9A 810/4885SMN1; SMN2 4210/4885ALDH1A1 1389/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A RAB9A 955/4885SMN1; SMN2 3516/4885ALDH1A1 862/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 RAB9A 3809/4885SMN1; SMN2 1094/4885ALDH1A1 1617/4885

“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.