SCHEMBL5343043

SCHEMBL5343043

COCCOc1ccc(NC(=O)Nc2ccc(Oc3cc(-c4cnn(C)c4)ncn3)cc2)cc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.60
BRAF P15056 3/20 0.48
RAF1 P04049 2/20 0.48
MAPK14 Q16539 2/20 0.47
TNNI3K Q59H18 2/20 0.47
NTRK1 P04629 2/20 0.47
STK25 O00506 1/20 0.47
CIT O14578 1/20 0.47
MAP2K7 O14733 1/20 0.47
IKBKB O14920 1/20 0.47
AURKA O14965 1/20 0.47
GAK O14976 1/20 0.47
CHUK O15111 1/20 0.47
MUSK O15146 1/20 0.47
MAPK13 O15264 1/20 0.47
MAP3K13 O43283 1/20 0.47
DAPK3 O43293 1/20 0.47
MAP3K7 O43318 1/20 0.47
RIPK2 O43353 1/20 0.47
JAK2 O60674 1/20 0.47

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
SCHEMBL5460315 0.86 KDR (0.77) KDRBRAFRAF1PDGFRBKIT
SCHEMBL5335173 0.83 KDR (0.59) KDRBRAFRAF1MAPK14TNNI3K
SCHEMBL5420322 0.81 BRAF (0.49) KDRBRAFRAF1MAPK14TNNI3K
SCHEMBL5445003 0.79 KDR (0.69) KDRBRAFRAF1NTRK1RET
SCHEMBL5349430 0.78 NTRK1 (0.67) KDRBRAFMAPK14TNNI3KNTRK1
SCHEMBL5436585 0.78 KDR (0.70) KDRBRAFRAF1MAPK14RIPK2
SCHEMBL5417893 0.78 KDR (0.68) KDRBRAFRAF1
SCHEMBL5450727 0.76 KDR (0.53) KDRBRAFRAF1MAPK14TNNI3K
SCHEMBL17179399 0.75 KDR (1.00) KDRBRAFRAF1CDK8
SCHEMBL5429534 0.75 NTRK1 (0.62) KDRBRAFRAF1MAPK14TNNI3K

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 1/4885RAF1 3/4885

“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.