SCHEMBL5951852

SCHEMBL5951852

O=C(NCc1ccc(Br)cc1)c1cccc2nc(-c3n[nH]c4ccccc34)[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
FGFR1 P11362 2/20 0.47
FLT1 P17948 2/20 0.47
PDPK1 O15530 2/20 0.47
ITK Q08881 2/20 0.46
FLT3 P36888 1/20 0.43
CHEK1 O14757 4/20 0.42
MAPK8 P45983 1/20 0.42
MAPK10 P53779 1/20 0.42
KDR P35968 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 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
SCHEMBL5953304 0.92 SMN1; SMN2 (0.57) SMN1; SMN2FGFR1FLT1PDPK1ITK
SCHEMBL5952675 0.91 PDPK1 (0.47) SMN1; SMN2FGFR1FLT1PDPK1ITK
SCHEMBL5951853 0.88 SMN1; SMN2 (0.48) SMN1; SMN2FGFR1FLT1ITKFLT3
SCHEMBL5951266 0.88 TP53 (0.47) SMN1; SMN2FGFR1FLT1PDPK1ITK
SCHEMBL5951459 0.87 MAPT (0.46) SMN1; SMN2FGFR1FLT1ITKFLT3
SCHEMBL5951726 0.87 KMT2A (0.51) SMN1; SMN2FGFR1FLT1ITK
SCHEMBL5953264 0.86 FGFR1 (0.46) SMN1; SMN2FGFR1FLT1PDPK1ITK
SCHEMBL13373559 0.85 CSNK1D (0.49) SMN1; SMN2FGFR1FLT1PDPK1ITK
SCHEMBL13373498 0.85 FGFR1 (0.44) SMN1; SMN2FGFR1FLT1PDPK1ITK
SCHEMBL13373609 0.85 USP2 (0.49) SMN1; SMN2FGFR1FLT1ITKMETTL3

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 SMN1; SMN2 4210/4885FGFR1 583/4885FLT1 2074/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A SMN1; SMN2 3516/4885FGFR1 254/4885FLT1 1117/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 SMN1; SMN2 1094/4885FGFR1 48/4885FLT1 4/4885

“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.