SCHEMBL1161206

SCHEMBL1161206

COc1cc(Nc2ccnc3c2CNC(=O)N3)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.42
HDAC6 Q9UBN7 1/20 0.41
EGFR P00533 1/20 0.40
BRD4 O60885 4/20 0.39
SRC P12931 2/20 0.39
PTK6 Q13882 1/20 0.39
GAK O14976 2/20 0.37
P2RY4 P51582 1/20 0.37
RIPK2 O43353 1/20 0.37
COQ8A Q8NI60 1/20 0.37
NLK Q9UBE8 1/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
ERBB2 P04626 1/20 0.35

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
SCHEMBL1160805 0.81 PTK6 (0.50) GRM4EGFRPTK6IDO1TDO2
SCHEMBL1161228 0.81 GRM4 (0.39) GRM4HDAC6EGFRBRD4SRC
SCHEMBL1160942 0.80 AURKA (0.48) EGFRPTK6GAKAURKAERBB2
SCHEMBL1160954 0.78 ERBB2 (0.49) GRM4PTK6MAOAMAOBKDR
SCHEMBL1160944 0.76 TYK2 (0.45) PTK6PDGFRBKDRAURKAAURKB
SCHEMBL11029715 0.76 PTGS1 (0.41) EGFRPTK6IDO1TDO2PDGFRB
SCHEMBL15195873 0.76 PTGS1 (0.42) GRM4EGFRBRD4KDRAURKA
SCHEMBL11028846 0.75 MAPT (0.42) EGFRSRCAURKAAURKB
SCHEMBL11031965 0.74 MST1R (0.38) PTK6RIPK2PDGFRBKDR
SCHEMBL11886918 0.74 CHEK1 (0.40)

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 GRM4 4855/4885HDAC6 911/4885EGFR 723/4885

“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.