SCHEMBL5451263

SCHEMBL5451263

O=C(O)Nc1cccc(Oc2cc(-c3ccno3)ncn2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP2K7 O14733 15/20 0.47
KDR P35968 3/20 0.43
BRAF P15056 1/20 0.41
MAPK14 Q16539 1/20 0.41
TNNI3K Q59H18 1/20 0.41
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL14447578 0.86 MAP2K7 (0.46) MAP2K7KDRBRAFMAPK14TNNI3K
SCHEMBL5332692 0.86 MAP2K7 (0.46) MAP2K7KDRTNNI3KNPC1CYP1A2
SCHEMBL5402120 0.81 KDR (0.64) KDRBRAF
SCHEMBL5416867 0.80 MAP2K7 (0.50) MAP2K7KDRBRAFMAPK14TNNI3K
SCHEMBL5340417 0.80 MAP2K7 (0.46) MAP2K7KDRTNNI3KNPC1CYP1A2
SCHEMBL5336073 0.78 MAP2K7 (0.45) MAP2K7KDRTNNI3KNPC1CYP1A2
SCHEMBL5333286 0.78 MAP2K7 (0.45) MAP2K7KDRTNNI3KNPC1CYP1A2
SCHEMBL5317914 0.78 CYP1A2 (0.43) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL5450708 0.78 MAP2K7 (0.56) MAP2K7KDR
SCHEMBL5440086 0.77 MAP2K7 (0.46) MAP2K7KDRTNNI3KNPC1CYP1A2

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 141/4885KDR 555/4885BRAF 1/4885

“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.