SCHEMBL5952525

SCHEMBL5952525

O=C(NCc1ccccc1OC(F)(F)F)c1ccc2[nH]c(-c3n[nH]c4ccccc34)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.53
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
CHEK1 O14757 5/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
PAX8 Q06710 1/20 0.48
ITK Q08881 1/20 0.47
PDPK1 O15530 1/20 0.46
CSNK1D P48730 1/20 0.46
CDK1 P06493 1/20 0.46
MAPK1 P28482 2/20 0.45
MAPK3 P27361 1/20 0.45
SLC40A1 Q9NP59 1/20 0.45
PAK4 O96013 1/20 0.45
CDK2 P24941 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL5952558 0.87 FLT3 (0.55) FLT3CHEK1ITKPDPK1CSNK1D
SCHEMBL5952461 0.86 FLT3 (0.60) FLT3CHEK1ITKPDPK1CSNK1D
SCHEMBL5952928 0.86 MAPK14 (0.53) FLT3ROCK2ROCK1CHEK1ITK
SCHEMBL13373565 0.85 CSNK1D (0.62) FLT3CHEK1ITKPDPK1CSNK1D
SCHEMBL4915057 0.84 FLT3 (0.58) FLT3CHEK1MAPTITKPDPK1
SCHEMBL5953060 0.83 FLT3 (0.57) FLT3CHEK1ITKPDPK1CSNK1D
SCHEMBL5952801 0.83 FLT3 (0.58) FLT3CHEK1ITKPDPK1CDK1
SCHEMBL4914894 0.83 ITK (0.67) FLT3CHEK1ITKPDPK1CDK1
SCHEMBL5953315 0.82 FLT3 (0.58) FLT3ROCK2ROCK1CHEK1ITK
SCHEMBL4924352 0.82 FLT3 (0.55) FLT3CHEK1ITKPDPK1CSNK1D

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 13 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
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO 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 161/4885ROCK2 958/4885ROCK1 865/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A FLT3 176/4885ROCK2 964/4885ROCK1 325/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 FLT3 80/4885ROCK2 477/4885ROCK1 336/4885

“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.