SCHEMBL5333938

SCHEMBL5333938

Cn1cc(-c2nccc(Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3)n2)cn1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.54
BRAF P15056 2/20 0.52
MAPK14 Q16539 2/20 0.52
TNNI3K Q59H18 2/20 0.52
NTRK1 P04629 1/20 0.51
FLT3 P36888 1/20 0.50
CDK1 P06493 1/20 0.46
CDK2 P24941 1/20 0.46
CDK8 P49336 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44

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
SCHEMBL5345816 0.91 KDR (0.65) KDRBRAFMAPK14TNNI3KNTRK1
SCHEMBL5457893 0.91 NTRK1 (0.63) KDRBRAFMAPK14TNNI3KNTRK1
SCHEMBL5429189 0.87 KDR (0.73) KDRBRAFMAPK14TNNI3KNTRK1
SCHEMBL5452721 0.85 NTRK1 (0.72) KDRBRAFMAPK14TNNI3KNTRK1
SCHEMBL5338760 0.84 NTRK1 (0.66) KDRBRAFMAPK14TNNI3KNTRK1
SCHEMBL5454230 0.83 NTRK1 (0.56) KDRBRAFMAPK14TNNI3KNTRK1
SCHEMBL5339174 0.82 SMN1; SMN2 (0.51) KDRNTRK1FLT3AURKAAURKB
SCHEMBL5447211 0.82 NTRK1 (0.60) KDRBRAFMAPK14TNNI3KNTRK1
SCHEMBL14468720 0.81 KDR (0.43) KDRNTRK1CDK1CDK2CDK8
SCHEMBL5335173 0.81 KDR (0.59) KDRBRAFMAPK14TNNI3KNTRK1

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 4 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
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
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 1/4885MAPK14 193/4885

“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.