SCHEMBL11029640

SCHEMBL11029640

Cc1ccc(Nc2ccnc3c2CNC(=O)N3)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.43
BRAF P15056 1/20 0.38
KDR P35968 7/20 0.38
DDR2 Q16832 1/20 0.37
MST1R Q04912 2/20 0.36
PDGFRB P09619 1/20 0.36
AURKA O14965 4/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
FLT1 P17948 1/20 0.34
PTK6 Q13882 1/20 0.34
PLK4 O00444 1/20 0.34
ROCK2 O75116 1/20 0.34
NTRK1 P04629 1/20 0.34
MET P08581 1/20 0.34
ROS1 P08922 1/20 0.34
RPS6KB1 P23443 1/20 0.34
EPHA2 P29317 1/20 0.34
AXL P30530 1/20 0.34
FLT4 P35916 1/20 0.34

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
SCHEMBL1160944 0.85 TYK2 (0.45) BRAFKDRMST1RPDGFRBAURKA
SCHEMBL11029715 0.83 PTGS1 (0.41) BRAFKDRMST1RPDGFRBPTGS1
SCHEMBL1161053 0.81 TAS2R14 (0.40) TAS2R14BRAFKDRPDGFRBAURKA
SCHEMBL15195873 0.78 PTGS1 (0.42) KDRAURKAPTGS1PTGS2FLT1
SCHEMBL11028846 0.78 MAPT (0.42) MST1RAURKAPTGS1PTGS2AURKB
SCHEMBL11031965 0.77 MST1R (0.38) BRAFKDRDDR2MST1RPDGFRB
SCHEMBL1160805 0.76 PTK6 (0.50) PTGS1PTGS2PTK6
SCHEMBL11026897 0.76 PTGS1 (0.41) KDRPTGS1PTGS2FLT3MAPK9
SCHEMBL1160876 0.76 AURKA (0.47) BRAFKDRDDR2MST1RAURKA
SCHEMBL11031701 0.76 AURKA (0.62) BRAFMST1RAURKAFLT4AURKB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569295-B2 Bicyclic urea compounds MERCK PATENT GMBH (DE) 2013-10-29 US disclosed
US-8569295-B2 Bicyclic urea compounds MERCK PATENT GMBH (DE) 2013-10-29 US disclosed
EP-2461869-B1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2013-08-21 EP disclosed
US-20120190654-A1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2012-07-26 US disclosed
US-20120190654-A1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2012-07-26 US disclosed
WO-2011017142-A1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2011-02-10 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-20120190654-A1 NOVEL BICYCLIC UREA COMPOUNDS CCNC, CCNI, CCNA1 TAS2R14 3745/4885BRAF 582/4885KDR 2655/4885

“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.