SCHEMBL5453207

SCHEMBL5453207

COC(=O)Cn1ccc(-c2cc(Oc3cccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ncn2)n1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.58
RAF1 P04049 5/20 0.53
BRAF P15056 5/20 0.53
CDK8 P49336 3/20 0.51
RET P07949 1/20 0.51
MAPK3 P27361 2/20 0.50
CCNC P24863 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 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
SCHEMBL5346013 0.92 KDR (0.57) KDRRAF1BRAFCDK8RET
SCHEMBL5448704 0.92 KDR (0.58) KDRRAF1BRAFCDK8RET
SCHEMBL5459459 0.89 KDR (0.59) KDRRAF1BRAFCDK8RET
SCHEMBL5431613 0.88 KDR (0.63) KDRRAF1BRAFCDK8RET
SCHEMBL5448287 0.87 KDR (0.56) KDRRAF1BRAFCDK8RET
SCHEMBL14468719 0.81 KDR (0.46) KDRRAF1BRAFCDK8RET
SCHEMBL5450857 0.81 MAP2K7 (0.43) KDR
SCHEMBL5423865 0.80 KDR (0.61) KDRRAF1BRAFCDK8RET
SCHEMBL5334518 0.80 KDR (0.61) KDRRAF1BRAFCDK8RET
SCHEMBL5337632 0.80 KDR (0.61) KDRRAF1BRAFCDK8RET

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-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
US-7176279-B2 Cyclic peptide compositions and methods for treatment of sexual dysfunction PALATIN TECHNOLOGIES, INC. (US) 2007-02-13 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 555/4885RAF1 3/4885BRAF 1/4885

“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.