SCHEMBL5317859

SCHEMBL5317859

N#Cc1cc(Oc2cccc(NC(=O)O)c2)ncn1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.56
MAP2K7 O14733 12/20 0.49
TNNI3K Q59H18 4/20 0.46
MAPK14 Q16539 2/20 0.44
BRAF P15056 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAF1 P04049 1/20 0.43

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
SCHEMBL5339727 0.87 KDR (0.51) KDRMAP2K7TNNI3KMAPK14BRAF
SCHEMBL5440029 0.84 KDR (0.53) KDRMAP2K7TNNI3KMAPK14BRAF
SCHEMBL5450708 0.82 MAP2K7 (0.56) KDRMAP2K7ALDH1A1
SCHEMBL18362098 0.79 L3MBTL1 (0.58) KDRALDH1A1
SCHEMBL5321576 0.79 MAP2K7 (0.53) KDRMAP2K7TNNI3KMAPK14BRAF
SCHEMBL5336916 0.79 MAP2K7 (0.50) KDRMAP2K7TNNI3K
SCHEMBL5318385 0.77 ALDH1A1 (0.46) KDRTNNI3KMAPK14BRAFALDH1A1
SCHEMBL5319548 0.77 MAP2K7 (0.51) KDRMAP2K7
SCHEMBL23213631 0.77 GRM4 (0.52) KDRMAP2K7ALDH1A1
SCHEMBL5318344 0.76 MAP2K7 (0.47) KDRMAP2K7TNNI3KMAPK14BRAF

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 2 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

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 555/4885MAP2K7 141/4885TNNI3K 112/4885

“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.