SCHEMBL5952992

SCHEMBL5952992

O=C(NCc1cccc(C(F)(F)F)c1)c1ccc2[nH]c(-c3n[nH]c4ccccc34)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.56
PDPK1 O15530 2/20 0.55
ITK Q08881 1/20 0.53
CHEK1 O14757 5/20 0.51
MLYCD O95822 1/20 0.50
MAPK3 P27361 2/20 0.49
MAPK1 P28482 2/20 0.49
CNR2 P34972 1/20 0.49
MAPK14 Q16539 1/20 0.48
DDR2 Q16832 1/20 0.48
CDK1 P06493 1/20 0.47
MEN1 O00255 1/20 0.47
PLA2G1B P04054 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL5953315 0.91 FLT3 (0.58) FLT3PDPK1ITKCHEK1MAPK3
SCHEMBL14214712 0.88 FLT3 (0.57) FLT3PDPK1ITKCHEK1MAPK3
SCHEMBL4914894 0.88 ITK (0.67) FLT3PDPK1ITKCHEK1MAPK3
SCHEMBL14214668 0.87 FLT3 (0.58) FLT3PDPK1ITKCHEK1MAPK3
SCHEMBL5952928 0.87 MAPK14 (0.53) FLT3PDPK1ITKCHEK1MAPK3
SCHEMBL4923270 0.86 FLT3 (0.57) FLT3PDPK1ITKCHEK1MAPK3
SCHEMBL5951894 0.86 FLT3 (0.57) FLT3PDPK1ITKCHEK1MAPK3
SCHEMBL4921916 0.86 MAPK1 (0.65) FLT3PDPK1ITKCHEK1MAPK3
SCHEMBL5952558 0.85 FLT3 (0.55) FLT3PDPK1ITKCHEK1MAPK3
SCHEMBL5952741 0.85 FLT3 (0.59) FLT3PDPK1ITKCHEK1MAPK3

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 10 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-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 FLT3 161/4885PDPK1 291/4885ITK 979/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A FLT3 176/4885PDPK1 216/4885ITK 1317/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 FLT3 80/4885PDPK1 584/4885ITK 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.