SCHEMBL14447635

SCHEMBL14447635

CC(C)(C)OC(=O)Nc1cccc(Oc2cc(-c3ncn[nH]3)ncn2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP2K7 O14733 11/20 0.44
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
KDR P35968 5/20 0.40
BRAF P15056 2/20 0.39
MAPK14 Q16539 2/20 0.39
TNNI3K Q59H18 2/20 0.39
CDK1 P06493 1/20 0.39
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38

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
SCHEMBL14447641 0.89 MAP4K4 (0.42) MAP2K7HTTKDRBRAFMAPK14
SCHEMBL5335395 0.87 MAP2K7 (0.43) MAP2K7KDRBRAFMAPK14TNNI3K
SCHEMBL5440086 0.86 MAP2K7 (0.46) MAP2K7TSHRHTTKDRTNNI3K
SCHEMBL5449930 0.85 MAP2K7 (0.43) MAP2K7TSHRHTTKDRBRAF
SCHEMBL5439065 0.83 MAP2K7 (0.43) MAP2K7KDRBRAFMAPK14TNNI3K
SCHEMBL14447580 0.83 MAP2K7 (0.45) MAP2K7KDRBRAFMAPK14TNNI3K
SCHEMBL14447587 0.82 MAP2K7 (0.54) MAP2K7KDRBRAFMAPK14TNNI3K
SCHEMBL5445955 0.80 MAP2K7 (0.44) MAP2K7KDRBRAFMAPK14TNNI3K
SCHEMBL5435146 0.80 MAP2K7 (0.45) MAP2K7KDRBRAFMAPK14TNNI3K
SCHEMBL14447622 0.80 MAP2K7 (0.46) MAP2K7KDRBRAFMAPK14TNNI3K

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 1 patent. 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

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 MAP2K7 141/4885TSHR 1161/4885HTT 4056/4885

“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.