SCHEMBL1160764

SCHEMBL1160764

CCN1Cc2c(Nc3cccc(OC)c3)ccnc2NC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.45
PTK6 Q13882 5/20 0.45
ERBB2 P04626 4/20 0.45
JAK2 O60674 2/20 0.43
ROCK1 Q13464 2/20 0.43
CDC7 O00311 1/20 0.43
PLK4 O00444 1/20 0.43
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
MAPK13 O15264 1/20 0.43
DAPK3 O43293 1/20 0.43
DYRK3 O43781 1/20 0.43
ROCK2 O75116 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
CHEK2 O96017 1/20 0.43
PRKCG P05129 1/20 0.43
INSR P06213 1/20 0.43
CDK1 P06493 1/20 0.43
FES P07332 1/20 0.43

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
SCHEMBL11029512 0.85 CDK4 (0.40) CDK2MAPK9PTGS1EGFR
SCHEMBL1160940 0.85 ERBB2 (0.44) PTK6ERBB2ROCK1PTGS1EGFR
SCHEMBL1161228 0.82 GRM4 (0.39) PTK6ERBB2FLT1MAPK1KDR
SCHEMBL1161157 0.81 IDH1 (0.42) AURKAJAK2PRKD3PRKCGTYK2
SCHEMBL11027540 0.81 JAK2 (0.43) JAK2MARK3KDRFLT3SYK
SCHEMBL1160942 0.80 AURKA (0.48) AURKAPTK6ERBB2JAK2ROCK1
SCHEMBL11030262 0.79 BRD4 (0.42) PTK6DYRK1AEGFR
SCHEMBL1160852 0.78 PTGS1 (0.38) PTK6KDRMKNK2PTGS1MEN1
SCHEMBL11031600 0.78 MAPK10 (0.44) MAPK1MEN1POLBKMT2A
SCHEMBL1160919 0.78 MAOA (0.40) ERBB2CDK1RETFLT1KDR

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 AURKA 566/4885PTK6 3659/4885ERBB2 1520/4885

“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.