SCHEMBL5445003

SCHEMBL5445003

Cn1cc(-c2cc(Oc3cccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ncn2)cn1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.69
NTRK1 P04629 1/20 0.59
CDK8 P49336 2/20 0.56
BRAF P15056 2/20 0.54
RAF1 P04049 1/20 0.54
RET P07949 1/20 0.53

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
SCHEMBL5460315 0.93 KDR (0.77) KDRCDK8BRAFRAF1
SCHEMBL5432163 0.91 KDR (0.56) KDRNTRK1BRAFRAF1
SCHEMBL5335414 0.90 KDR (0.58) KDRCDK8BRAFRAF1RET
SCHEMBL5417893 0.89 KDR (0.68) KDRBRAFRAF1
SCHEMBL5436585 0.89 KDR (0.70) KDRBRAFRAF1RET
SCHEMBL27847250 0.89 KDR (0.87) KDRNTRK1CDK8RAF1RET
SCHEMBL5349430 0.88 NTRK1 (0.67) KDRNTRK1BRAFRET
SCHEMBL5448287 0.88 KDR (0.56) KDRCDK8BRAFRAF1RET
SCHEMBL5338893 0.88 KDR (0.56) KDRCDK8BRAFRAF1RET
SCHEMBL5421657 0.87 KDR (0.57) KDRCDK8BRAFRAF1RET

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
CN-102406647-A New application of aryl urea derivative in preparing medicine for treating renal tumor UNIV PEKING FOUNDER GROUP CO 2012-04-11 CN 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
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

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 555/4885NTRK1 578/4885CDK8 185/4885

“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.