SCHEMBL5317895

SCHEMBL5317895

CN(C)/C=C/C(=O)c1cc(Oc2cccc(NC(=O)O)c2)ncn1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP2K7 O14733 17/20 0.49
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDR P35968 1/20 0.41
TNNI3K Q59H18 1/20 0.41

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
SCHEMBL5317897 1.00 MAP2K7 (0.49) MAP2K7GAAMAPTHTTNPC1
SCHEMBL5449157 0.87 MAP2K7 (0.45) MAP2K7GAAMAPTHTTKDR
SCHEMBL5449160 0.87 MAP2K7 (0.45) MAP2K7GAAMAPTHTTKDR
SCHEMBL5319304 0.82 MAP2K7 (0.48) MAP2K7KDRTNNI3K
SCHEMBL5319303 0.82 MAP2K7 (0.48) MAP2K7KDRTNNI3K
SCHEMBL5321576 0.82 MAP2K7 (0.53) MAP2K7KDRTNNI3K
SCHEMBL5336916 0.80 MAP2K7 (0.50) MAP2K7KDRTNNI3K
SCHEMBL5319548 0.78 MAP2K7 (0.51) MAP2K7KDR
SCHEMBL5318344 0.77 MAP2K7 (0.47) MAP2K7KDRTNNI3K
SCHEMBL5318395 0.77 MAP2K7 (0.50) MAP2K7

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 MAP2K7 141/4885GAA 3362/4885MAPT 2911/4885

“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.