SCHEMBL5951932

SCHEMBL5951932

O=C(O)c1ccc2c(-c3nc4cc(F)c(F)cc4[nH]3)n[nH]c2c1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 15/20 0.69
MAP2K4 P45985 2/20 0.52
MAPK1 P28482 1/20 0.52
MAPK6 Q16659 1/20 0.52
NR4A2 P43354 1/20 0.51
KDR P35968 1/20 0.49
CDK1 P06493 1/20 0.49
ITK Q08881 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
SCHEMBL31172338 0.91 CHEK1 (0.58) CHEK1MAP2K4MAPK1MAPK6NR4A2
SCHEMBL31172403 0.87 CHEK1 (0.70) CHEK1MAP2K4MAPK1MAPK6NR4A2
SCHEMBL5952883 0.87 MAP2K4 (0.60) CHEK1MAP2K4MAPK1MAPK6NR4A2
SCHEMBL5952668 0.86 CHEK1 (0.69) CHEK1MAP2K4KDRCDK1ITK
SCHEMBL3535642 0.83 CHEK1 (0.80) CHEK1KDRCDK1ITK
SCHEMBL5951619 0.83 CDK4 (0.55) CHEK1KDR
SCHEMBL5952795 0.82 MAP2K4 (0.60) CHEK1MAP2K4KDRCDK1ITK
SCHEMBL5249719 0.82 CHEK1 (1.00) CHEK1KDRCDK1
SCHEMBL5951201 0.82 CHEK1 (0.71) CHEK1MAP2K4MAPK1MAPK6NR4A2
SCHEMBL3542400 0.81 ITK (0.69) CHEK1MAP2K4MAPK1MAPK6NR4A2

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
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP claimed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US claimed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO claimed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 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 (2 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 CHEK1 286/4885MAP2K4 252/4885MAPK1 154/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A CHEK1 321/4885MAP2K4 376/4885MAPK1 23/4885

“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.