SCHEMBL5338769

SCHEMBL5338769

Cc1nc(C)c(-c2cc(Oc3cccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ncn2)s1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.61
CDK8 P49336 3/20 0.55
RAF1 P04049 3/20 0.55
MAPK3 P27361 2/20 0.55
BRAF P15056 5/20 0.54
RET P07949 1/20 0.53
CCNC P24863 1/20 0.53
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49

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
SCHEMBL5345043 0.93 KDR (0.59) KDRCDK8RAF1MAPK3BRAF
SCHEMBL5392946 0.87 KDR (0.62) KDRCDK8RAF1MAPK3BRAF
SCHEMBL5423865 0.82 KDR (0.61) KDRCDK8RAF1MAPK3BRAF
SCHEMBL5434053 0.82 KDR (0.62) KDRCDK8RAF1MAPK3BRAF
SCHEMBL5428871 0.82 KDR (0.62) KDRCDK8RAF1MAPK3BRAF
SCHEMBL5339679 0.82 KDR (0.64) KDRCDK8RAF1MAPK3BRAF
SCHEMBL5440345 0.82 KDR (0.64) KDRCDK8RAF1MAPK3BRAF
SCHEMBL5457582 0.81 KDR (0.62) KDRCDK8RAF1MAPK3BRAF
SCHEMBL5338718 0.81 KDR (0.63) KDRCDK8RAF1MAPK3BRAF
SCHEMBL5342616 0.81 KDR (0.63) KDRCDK8RAF1MAPK3BRAF

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
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
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

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 185/4885RAF1 3/4885

“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.