SCHEMBL14447604

SCHEMBL14447604

CC(C)(C)OC(=O)Nc1ccc(Oc2ccnc(-c3ncon3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.40
NAMPT P43490 1/20 0.40
P2RX3 P56373 2/20 0.39
TDP2 O95551 1/20 0.38
PSMB8 P28062 1/20 0.38
KDR P35968 2/20 0.38
BRAF P15056 1/20 0.38
MAPK14 Q16539 1/20 0.38
TNNI3K Q59H18 1/20 0.38
MET P08581 2/20 0.37
SREBF2 Q12772 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPKAPK2 P49137 3/20 0.36
MAP4K4 O95819 1/20 0.36

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
SCHEMBL5423262 0.85 MET (0.42) KDRBRAFMAPK14TNNI3KMET
SCHEMBL5337914 0.80 MAP4K4 (0.41) CYP17A1NAMPTPSMB8KDRBRAF
SCHEMBL5444453 0.80 KDR (0.46) CYP17A1NAMPTP2RX3PSMB8KDR
Hydrochloric Acid SCHEMBL5454555 0.77 CYP17A1 (0.43) CYP17A1NAMPTPSMB8KDRBRAF
SCHEMBL14447605 0.77 CYP17A1 (0.43) CYP17A1NAMPTPSMB8KDRBRAF
SCHEMBL14447606 0.76 P2RX3 (0.43) CYP17A1NAMPTP2RX3PSMB8KDR
SCHEMBL14447603 0.75 SIRT2 (0.42) CYP17A1NAMPTPSMB8KDRBRAF
SCHEMBL5441115 0.75 KDR (0.69) KDRBRAFMAPK14TNNI3KMET
SCHEMBL29131710 0.72 HPGD (0.59) CYP17A1NAMPTPSMB8MAP4K4
SCHEMBL5336104 0.71 CYP17A1 (0.41) CYP17A1NAMPTKDRBRAFMAPK14

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 CYP17A1 4528/4885NAMPT 1911/4885P2RX3 781/4885

“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.