SCHEMBL5316445

SCHEMBL5316445

N=C(NO)c1cc(Oc2ccc(NC(=O)O)cc2)ncn1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.48
TNNI3K Q59H18 15/20 0.48
KMO O15229 1/20 0.45
MAPK14 Q16539 13/20 0.45
BRAF P15056 10/20 0.45
MAP2K7 O14733 2/20 0.45
RAF1 P04049 1/20 0.40
P2RX3 P56373 1/20 0.39

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
SCHEMBL5318344 0.87 MAP2K7 (0.47) KDRTNNI3KKMOMAPK14BRAF
SCHEMBL5317810 0.84 KDR (0.45) KDRTNNI3KMAPK14BRAFMAP2K7
SCHEMBL5343714 0.81 KDR (0.49) KDRTNNI3KKMOMAPK14BRAF
SCHEMBL5321041 0.79 KDR (0.45) KDRTNNI3KKMOMAPK14BRAF
SCHEMBL5321048 0.79 KDR (0.45) KDRTNNI3KKMOMAPK14BRAF
SCHEMBL5318118 0.79 KDR (0.54) KDRTNNI3KKMOMAPK14BRAF
SCHEMBL5317782 0.76 KDR (0.44) KDRTNNI3KMAPK14BRAF
SCHEMBL5339727 0.75 KDR (0.51) KDRTNNI3KMAPK14BRAFMAP2K7
SCHEMBL14447620 0.72 MAP2K7 (0.45) KDRTNNI3KMAPK14BRAFMAP2K7
SCHEMBL5337979 0.71 KDR (0.46) KDRTNNI3KMAPK14BRAFMAP2K7

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 2 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

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 112/4885KMO 2390/4885

“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.