SCHEMBL2762680

SCHEMBL2762680

CS(=O)(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ncn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.66
BRAF P15056 6/20 0.66
RAF1 P04049 7/20 0.60
MAPK3 P27361 3/20 0.60
CDK8 P49336 3/20 0.58
CA7 P43166 2/20 0.58
CA9 Q16790 2/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
PDGFRB P09619 2/20 0.57
KIT P10721 2/20 0.57
PDGFRA P16234 2/20 0.57
FGFR2 P21802 2/20 0.57
FLT3 P36888 2/20 0.57
MEN1 O00255 1/20 0.56
PLK4 O00444 1/20 0.56
CIT O14578 1/20 0.56
AURKA O14965 1/20 0.56
MUSK O15146 1/20 0.56
EPHB6 O15197 1/20 0.56

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
SCHEMBL3167291 0.87 KDR (0.74) KDRBRAFRAF1MAPK3CDK8
SCHEMBL3174505 0.84 CDK8 (0.71) KDRBRAFRAF1MAPK3CDK8
SCHEMBL2763393 0.83 KDR (0.67) KDRBRAFRAF1MAPK3CDK8
SCHEMBL2762678 0.83 KDR (0.75) KDRBRAFMAPK14TNNI3K
SCHEMBL4211620 0.83 RAF1 (0.75) KDRBRAFRAF1MAPK3CDK8
SCHEMBL2762618 0.82 KDR (0.73) KDRBRAFRAF1MAPK3CDK8
SCHEMBL13945963 0.82 KDR (0.74) KDRBRAFRAF1MAPK3CDK8
SCHEMBL4211096 0.81 KDR (0.64) KDRBRAFRAF1MAPK3CDK8
SCHEMBL2762359 0.79 KDR (0.73) KDRBRAFRAF1MAPK3CDK8
SCHEMBL16907486 0.79 KDR (1.00) KDRBRAF

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8080552-B2 Pyrimidyl derivatives as protein kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2011-12-20 US disclosed
EP-2102173-B1 PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2010-10-20 EP disclosed
US-20100041684-A1 PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-02-18 US disclosed
EP-2102173-A1 PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-09-23 EP disclosed
WO-2008077548-A1 PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-03 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 (1 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-20100041684-A1 PYRIMIDYL DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP3K5, MAP3K1, MAP4K2 KDR 1270/4885BRAF 47/4885RAF1 210/4885

“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.