SCHEMBL5951941

SCHEMBL5951941

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.50
CNR2 P34972 1/20 0.49
CCR1 P32246 5/20 0.47
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ITK Q08881 1/20 0.44
FLT3 P36888 1/20 0.44
BACE1 P56817 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
CHEK1 O14757 1/20 0.43
FGFR1 P11362 1/20 0.43
FLT1 P17948 1/20 0.43
MLYCD O95822 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 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 0.88 SMN1; SMN2 (0.57) PDPK1SMN1; SMN2ITKFLT3CHEK1
SCHEMBL5952424 0.87 MMP13 (0.47) PDPK1SMN1; SMN2ITKFLT3CHEK1
SCHEMBL5952675 0.86 PDPK1 (0.47) PDPK1LMNASMN1; SMN2ITKFLT3
SCHEMBL5952503 0.86 KMT2A (0.52) CNR2LMNASMN1; SMN2ITKFLT3
SCHEMBL5952992 0.84 FLT3 (0.56) PDPK1CNR2ITKFLT3CHEK1
SCHEMBL5952409 0.84 SMN1; SMN2 (0.61) LMNAHPGDSMN1; SMN2
SCHEMBL5953264 0.84 FGFR1 (0.46) PDPK1SMN1; SMN2ITKFLT3CHEK1
SCHEMBL13373609 0.83 USP2 (0.49) LMNAHPGDSMN1; SMN2ITKFGFR1
SCHEMBL5951852 0.83 SMN1; SMN2 (0.48) PDPK1SMN1; SMN2ITKFLT3CHEK1
SCHEMBL13373559 0.82 CSNK1D (0.49) PDPK1SMN1; SMN2ITKFLT3CHEK1

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 291/4885CNR2 3414/4885CCR1 4760/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A PDPK1 216/4885CNR2 3680/4885CCR1 3970/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 PDPK1 584/4885CNR2 369/4885CCR1 706/4885

“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.