SCHEMBL5952928

SCHEMBL5952928

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.53
FLT3 P36888 2/20 0.52
CHEK1 O14757 3/20 0.51
ROCK2 O75116 4/20 0.51
ROCK1 Q13464 3/20 0.51
ITK Q08881 1/20 0.51
MMP13 P45452 1/20 0.47
NAMPT P43490 1/20 0.47
PDPK1 O15530 1/20 0.47
MAPK3 P27361 2/20 0.47
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CDK1 P06493 1/20 0.45
PAK4 O96013 1/20 0.44
CDK2 P24941 1/20 0.44

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
SCHEMBL5952802 0.89 SMN1; SMN2 (0.61) FLT3CHEK1ROCK2ROCK1ITK
SCHEMBL5952992 0.87 FLT3 (0.56) MAPK14FLT3CHEK1ITKPDPK1
SCHEMBL14214712 0.86 FLT3 (0.57) FLT3CHEK1ITKPDPK1MAPK3
SCHEMBL5952525 0.86 FLT3 (0.53) FLT3CHEK1ROCK2ROCK1ITK
SCHEMBL4914894 0.86 ITK (0.67) FLT3CHEK1ITKPDPK1MAPK3
SCHEMBL14214668 0.85 FLT3 (0.58) FLT3CHEK1ITKPDPK1MAPK3
SCHEMBL5952424 0.85 MMP13 (0.47) MAPK14FLT3CHEK1ROCK2ROCK1
SCHEMBL4923270 0.84 FLT3 (0.57) FLT3CHEK1ITKPDPK1MAPK3
SCHEMBL5951894 0.84 FLT3 (0.57) FLT3CHEK1ITKPDPK1MAPK3
SCHEMBL4921916 0.84 MAPK1 (0.65) FLT3CHEK1ITKPDPK1MAPK3

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 MAPK14 62/4885FLT3 161/4885CHEK1 286/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A MAPK14 69/4885FLT3 176/4885CHEK1 321/4885
US-20080125418-A1 Benzimidazole derivatives and their use as kdr kinase protein inhibitors KDR, MUSK, FLT4 MAPK14 292/4885FLT3 80/4885CHEK1 423/4885

“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.