SCHEMBL5333286

SCHEMBL5333286

O=C(O)Nc1cccc(Oc2cc(-c3ccn[nH]3)ncn2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K7 O14733 12/20 0.45
KDR P35968 3/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 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
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
TNNI3K Q59H18 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
SCHEMBL5449930 0.86 MAP2K7 (0.43) MAP2K7KDRCYP4F2CYP4A11TSHR
SCHEMBL5440086 0.83 MAP2K7 (0.46) MAP2K7KDRALDH1A1MAPTMAPK1
SCHEMBL5342616 0.81 KDR (0.63) KDR
SCHEMBL5338462 0.80 NPC1 (0.46) MAP2K7KDRALDH1A1MAPTMAPK1
SCHEMBL5422702 0.80 MAP2K7 (0.44) MAP2K7KDRNPC1CYP1A2CYP2C9
SCHEMBL5345519 0.78 MAP2K7 (0.47) MAP2K7KDRNPC1CYP1A2CYP2C9
SCHEMBL5451263 0.78 MAP2K7 (0.47) MAP2K7KDRNPC1CYP1A2CYP2C9
SCHEMBL5412031 0.78 NPC1 (0.43) CYP4F2CYP4A11MAPTNPC1CYP1A2
SCHEMBL5450708 0.78 MAP2K7 (0.56) MAP2K7KDRALDH1A1MAPK1HTT
SCHEMBL23213631 0.77 GRM4 (0.52) MAP2K7KDRALDH1A1MAPTMAPK1

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
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 MAP2K7 141/4885KDR 555/4885CYP4F2 2339/4885

“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.