SCHEMBL5333501

SCHEMBL5333501

O=C(Nc1ccc(Oc2ccnc(-c3nnco3)c2)cc1)Nc1cc(CN2CCOCC2)cc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.56
BRAF P15056 9/20 0.56
RAF1 P04049 7/20 0.49
EPHX2 P34913 1/20 0.45
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
MAPK14 Q16539 2/20 0.42
TNNI3K Q59H18 1/20 0.42
FGFR1 P11362 1/20 0.42

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
SCHEMBL5338918 0.92 KDR (0.68) KDRBRAFMAPK14FGFR1
SCHEMBL5342028 0.85 KDR (0.58) KDRBRAFRAF1EPHX2MAPK14
SCHEMBL5337876 0.83 RAF1 (0.61) KDRBRAFRAF1EPHX2MAPK14
SCHEMBL5451229 0.83 KDR (0.57) KDRBRAF
SCHEMBL5336881 0.75 RAF1 (0.53) KDRBRAFRAF1EPHX2MAPK14
SCHEMBL3406605 0.74 RAF1 (0.65) KDRBRAFRAF1EPHX2MAPK14
SCHEMBL16628043 0.73 HIF1A (0.69) EPHX2HIF1AEPAS1
SCHEMBL16907599 0.72 KDR (1.00) KDRBRAF
SCHEMBL5429004 0.72 GSK3B (0.53) KDRBRAFRAF1MAPK14
SCHEMBL6384853 0.70 RAF1 (0.58) KDRBRAFRAF1EPHX2MAPK14

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 555/4885BRAF 1/4885RAF1 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.