SCHEMBL5319339

SCHEMBL5319339

COC(=O)c1cc(Oc2ccc(NC(=O)OC(C)(C)C)cc2)ncn1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.47
TNNI3K Q59H18 15/20 0.47
MAPK14 Q16539 13/20 0.47
BRAF P15056 11/20 0.47
MAP4K4 O95819 1/20 0.46
MAP2K7 O14733 2/20 0.45
P2RX3 P56373 1/20 0.44

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
SCHEMBL5319197 0.89 KMO (0.52) KDRTNNI3KMAPK14BRAFMAP4K4
SCHEMBL5446984 0.88 MAP4K4 (0.48) KDRTNNI3KMAPK14BRAFMAP4K4
SCHEMBL5319331 0.88 MAP2K7 (0.47) KDRTNNI3KMAPK14BRAFMAP2K7
SCHEMBL14447567 0.86 MAP4K4 (0.47) KDRTNNI3KMAPK14BRAFMAP4K4
SCHEMBL5451118 0.85 MAP2K7 (0.51) KDRTNNI3KMAPK14BRAFMAP4K4
SCHEMBL5317810 0.85 KDR (0.45) KDRTNNI3KMAPK14BRAFMAP4K4
SCHEMBL14447636 0.82 MAP2K7 (0.42) KDRTNNI3KMAPK14BRAFMAP4K4
SCHEMBL14447591 0.81 MAP4K4 (0.46) KDRTNNI3KMAPK14BRAFMAP4K4
SCHEMBL22541668 0.81 KDR (0.60) KDRTNNI3KMAPK14BRAFMAP4K4
SCHEMBL5319488 0.81 MAP4K4 (0.46) KDRTNNI3KMAPK14BRAFMAP4K4

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
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
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 555/4885TNNI3K 112/4885MAPK14 193/4885

“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.