SCHEMBL1160944

SCHEMBL1160944

Cc1ccc(Nc2ccnc3c2CNC(=O)N3)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.45
MST1R Q04912 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CLK4 Q9HAZ1 2/20 0.39
AURKA O14965 1/20 0.39
MAP4K4 O95819 1/20 0.39
PIM1 P11309 1/20 0.39
CDK2 P24941 1/20 0.39
MAPK8 P45983 1/20 0.39
GSK3B P49841 1/20 0.39
AURKB Q96GD4 1/20 0.39
HIPK2 Q9H2X6 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
MAPT P10636 3/20 0.37
PDGFRB P09619 2/20 0.37
KDR P35968 2/20 0.37
TP53 P04637 1/20 0.37
NPC1 O15118 2/20 0.36

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
SCHEMBL11029715 0.86 PTGS1 (0.41) TYK2MST1RMKNK2PDGFRBKDR
SCHEMBL11029640 0.85 TAS2R14 (0.43) MST1RAURKAAURKBPDGFRBKDR
SCHEMBL1160805 0.84 PTK6 (0.50) MEN1KMT2APTK6ALOX15MAPK1
SCHEMBL11028846 0.83 MAPT (0.42) MST1RMEN1KMT2AAURKAAURKB
SCHEMBL15195873 0.81 PTGS1 (0.42) CLK4AURKAMAP4K4PIM1AURKB
SCHEMBL11026897 0.81 PTGS1 (0.41) MEN1KMT2ACLK4PIM1CDK2
SCHEMBL11027546 0.79 TYK2 (0.42) TYK2MEN1KMT2ACLK4AURKA
SCHEMBL1161168 0.79 AURKA (0.45) MST1RMEN1KMT2AAURKAAURKB
SCHEMBL1161206 0.76 GRM4 (0.42) AURKAAURKBPDGFRBKDRPTK6
SCHEMBL1160954 0.76 ERBB2 (0.49) GSK3BMAPTKDRPTK6

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 8 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
EP-2461869-A1 NOVEL BICYCLIC UREA COMPOUNDS Merck Patent GmbH (DE) 2012-06-13 EP disclosed
WO-2011017142-A1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2011-02-10 WO 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 TYK2 3735/4885MST1R 2790/4885MEN1 1765/4885

“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.