SCHEMBL5952675

SCHEMBL5952675

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ITK Q08881 2/20 0.46
FGFR1 P11362 1/20 0.46
FLT1 P17948 1/20 0.46
CHEK1 O14757 4/20 0.45
FLT3 P36888 1/20 0.44
THRB P10828 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
BACE1 P56817 1/20 0.42
KDR P35968 1/20 0.41
CDK1 P06493 1/20 0.41
MAPT P10636 1/20 0.41
MAPK3 P27361 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41
METTL3 Q86U44 1/20 0.40
APP P05067 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
SCHEMBL5951852 0.91 SMN1; SMN2 (0.48) PDPK1SMN1; SMN2ITKFGFR1FLT1
SCHEMBL5953304 0.90 SMN1; SMN2 (0.57) PDPK1SMN1; SMN2ITKFGFR1FLT1
SCHEMBL5952503 0.89 KMT2A (0.52) SMN1; SMN2ITKFGFR1FLT1CHEK1
SCHEMBL5952409 0.86 SMN1; SMN2 (0.61) SMN1; SMN2MAPTLMNA
SCHEMBL5951941 0.86 PDPK1 (0.50) PDPK1SMN1; SMN2ITKFGFR1FLT1
SCHEMBL5953264 0.86 FGFR1 (0.46) PDPK1SMN1; SMN2ITKFGFR1FLT1
SCHEMBL13373609 0.85 USP2 (0.49) SMN1; SMN2ITKFGFR1FLT1LMNA
SCHEMBL5952424 0.84 MMP13 (0.47) PDPK1SMN1; SMN2ITKFGFR1FLT1
SCHEMBL13373559 0.84 CSNK1D (0.49) PDPK1SMN1; SMN2ITKFGFR1FLT1
SCHEMBL5952151 0.84 RAB9A (0.55) SMN1; SMN2ITKFGFR1FLT1CHEK1

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 PDPK1 291/4885SMN1; SMN2 4210/4885ITK 979/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A PDPK1 216/4885SMN1; SMN2 3516/4885ITK 1317/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 PDPK1 584/4885SMN1; SMN2 1094/4885ITK 417/4885

“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.