SCHEMBL5336881

SCHEMBL5336881

CN1CCN(Cc2cc(NC(=O)Nc3cccc(Oc4cc(-c5nnco5)ncn4)c3)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.53
KDR P35968 14/20 0.50
BRAF P15056 10/20 0.50
FGFR1 P11362 1/20 0.50
MAPK14 Q16539 7/20 0.49
TNNI3K Q59H18 7/20 0.49
KIT P10721 1/20 0.44
DDR1 Q08345 1/20 0.44
DDR2 Q16832 1/20 0.44
MAP2K7 O14733 1/20 0.42
EPHX2 P34913 1/20 0.41

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
SCHEMBL5337876 0.92 RAF1 (0.61) RAF1KDRBRAFFGFR1MAPK14
SCHEMBL5342028 0.90 KDR (0.58) RAF1KDRBRAFFGFR1MAPK14
SCHEMBL5350951 0.90 KDR (0.54) RAF1KDRBRAFFGFR1MAPK14
SCHEMBL5342064 0.84 KDR (0.46) RAF1KDRBRAFMAPK14TNNI3K
SCHEMBL5338918 0.83 KDR (0.68) KDRBRAFFGFR1MAPK14KIT
SCHEMBL5419476 0.81 KDR (0.54) KDRBRAFMAPK14TNNI3KMAP2K7
SCHEMBL14447654 0.78 KDR (0.45) KDRBRAFMAPK14TNNI3KMAP2K7
SCHEMBL4929645 0.77 KDR (0.65) RAF1KDRBRAFFGFR1MAPK14
SCHEMBL5453242 0.77 MCHR1 (0.46) KDRBRAFMAPK14TNNI3K
SCHEMBL4769351 0.76 KDR (0.64) RAF1KDRBRAFFGFR1MAPK14

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 RAF1 3/4885KDR 555/4885BRAF 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.