SCHEMBL5952424

SCHEMBL5952424

O=C(NCc1cccc(OC(F)(F)F)c1)c1cccc2nc(-c3n[nH]c4ccccc34)[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ROCK2 O75116 4/20 0.47
ROCK1 Q13464 3/20 0.47
MAPK14 Q16539 1/20 0.46
CHEK1 O14757 1/20 0.44
ITK Q08881 1/20 0.43
ABCB1 P08183 1/20 0.42
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
GLS O94925 1/20 0.41
FLT3 P36888 1/20 0.41
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
KCNB1 Q14721 1/20 0.40
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
NAMPT P43490 1/20 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
SCHEMBL5952409 0.89 SMN1; SMN2 (0.61) MMP13SMN1; SMN2ROCK2
SCHEMBL5951941 0.87 PDPK1 (0.50) SMN1; SMN2CHEK1ITKFGFR1FLT1
SCHEMBL5953304 0.86 SMN1; SMN2 (0.57) SMN1; SMN2CHEK1ITKFGFR1FLT1
SCHEMBL5952928 0.85 MAPK14 (0.53) MMP13SMN1; SMN2ROCK2ROCK1MAPK14
SCHEMBL5952675 0.84 PDPK1 (0.47) SMN1; SMN2CHEK1ITKFGFR1FLT1
SCHEMBL5952503 0.84 KMT2A (0.52) SMN1; SMN2CHEK1ITKFGFR1FLT1
SCHEMBL5951853 0.84 SMN1; SMN2 (0.48) MMP13SMN1; SMN2MAPK14CHEK1ITK
SCHEMBL5953264 0.82 FGFR1 (0.46) SMN1; SMN2ROCK2ROCK1CHEK1ITK
SCHEMBL13373609 0.81 USP2 (0.49) SMN1; SMN2ITKFGFR1FLT1
SCHEMBL5951852 0.81 SMN1; SMN2 (0.48) SMN1; SMN2CHEK1ITKFGFR1FLT1

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 MMP13 2317/4885SMN1; SMN2 4210/4885ROCK2 958/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A MMP13 2657/4885SMN1; SMN2 3516/4885ROCK2 964/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 MMP13 632/4885SMN1; SMN2 1094/4885ROCK2 477/4885

“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.