SCHEMBL5338718

SCHEMBL5338718

O=C(Nc1cccc(Oc2cc(-c3ncc[nH]3)ncn2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.63
CDK8 P49336 3/20 0.59
RET P07949 1/20 0.56
BRAF P15056 7/20 0.54
RAF1 P04049 3/20 0.54
MAPK3 P27361 1/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CCNC P24863 1/20 0.51

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
SCHEMBL5440345 0.87 KDR (0.64) KDRCDK8RETBRAFRAF1
SCHEMBL5339679 0.87 KDR (0.64) KDRCDK8RETBRAFRAF1
SCHEMBL5457582 0.87 KDR (0.62) KDRCDK8RETBRAFRAF1
SCHEMBL5453206 0.86 KDR (0.62) KDRCDK8RETBRAFRAF1
SCHEMBL5342616 0.85 KDR (0.63) KDRCDK8RETBRAFRAF1
SCHEMBL5402120 0.84 KDR (0.64) KDRCDK8RETBRAFRAF1
SCHEMBL5341962 0.83 KDR (0.63) KDRCDK8RETBRAFRAF1
SCHEMBL5442674 0.82 KDR (0.64) KDRCDK8RETBRAFRAF1
SCHEMBL5424205 0.82 KDR (0.62) KDRCDK8RETBRAFRAF1
SCHEMBL5431613 0.81 KDR (0.63) KDRCDK8RETBRAFRAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007076473-A2 SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 WO disclosed
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 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 (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-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES BRAF, ARAF, RAF1 KDR 555/4885CDK8 185/4885RET 5/4885

“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.