SCHEMBL5336829

SCHEMBL5336829

Cn1nnnc1-c1cc(Oc2cccc(NC(=O)OC(C)(C)C)c2)ncn1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K7 O14733 8/20 0.42
KDR P35968 10/20 0.40
TNNI3K Q59H18 3/20 0.38
BRAF P15056 2/20 0.38
MAPK14 Q16539 2/20 0.38
BRD4 O60885 1/20 0.38
TDP2 O95551 1/20 0.37

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
SCHEMBL5439121 0.87 MAP2K7 (0.43) MAP2K7KDRTNNI3KBRAFMAPK14
SCHEMBL5449168 0.85 MAP2K7 (0.42) MAP2K7KDRTNNI3KBRAFMAPK14
SCHEMBL5323559 0.82 MAP2K7 (0.43) MAP2K7KDRTNNI3KBRAFMAPK14
SCHEMBL5435146 0.82 MAP2K7 (0.45) MAP2K7KDRTNNI3KBRAFMAPK14
SCHEMBL14447622 0.81 MAP2K7 (0.46) MAP2K7KDRTNNI3KBRAFMAPK14
SCHEMBL5335395 0.80 MAP2K7 (0.43) MAP2K7KDRTNNI3KBRAFMAPK14
SCHEMBL5445955 0.80 MAP2K7 (0.44) MAP2K7KDRTNNI3KBRAFMAPK14
SCHEMBL14447587 0.80 MAP2K7 (0.54) MAP2K7KDRTNNI3KBRAFMAPK14
SCHEMBL5332722 0.80 MAP2K7 (0.43) MAP2K7KDRTNNI3KBRAFMAPK14
SCHEMBL5334518 0.80 KDR (0.61) KDRBRAF

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 3 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

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 141/4885KDR 555/4885TNNI3K 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.