SCHEMBL5340602

SCHEMBL5340602

O=C(Nc1ccc(Oc2cc(-c3nc(C(F)(F)F)c[nH]3)ncn2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.60
BRAF P15056 6/20 0.60
CDK8 P49336 2/20 0.56
RAF1 P04049 5/20 0.54
PDGFRB P09619 1/20 0.54
KIT P10721 1/20 0.54
PDGFRA P16234 1/20 0.54
FGFR2 P21802 1/20 0.54
FLT3 P36888 1/20 0.54
MAPK3 P27361 1/20 0.53
FLT1 P17948 1/20 0.53

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
SCHEMBL5457582 0.93 KDR (0.62) KDRBRAFCDK8RAF1MAPK3
SCHEMBL5457856 0.85 KDR (0.63) KDRBRAFCDK8RAF1PDGFRB
SCHEMBL5350880 0.82 KDR (0.62) KDRBRAFCDK8RAF1PDGFRB
SCHEMBL3167291 0.82 KDR (0.74) KDRBRAFCDK8RAF1PDGFRB
SCHEMBL5345043 0.80 KDR (0.59) KDRBRAFCDK8RAF1PDGFRB
SCHEMBL5441215 0.80 KDR (0.63) KDRBRAFCDK8RAF1PDGFRB
SCHEMBL3174505 0.80 CDK8 (0.71) KDRBRAFCDK8RAF1PDGFRB
SCHEMBL5439081 0.79 KDR (0.62) KDRBRAFCDK8RAF1PDGFRB
SCHEMBL5350860 0.79 KDR (0.62) KDRBRAFCDK8RAF1PDGFRB
SCHEMBL5338718 0.79 KDR (0.63) KDRBRAFCDK8RAF1MAPK3

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 3 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
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 KDR 555/4885BRAF 1/4885CDK8 185/4885

“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.