SCHEMBL11029036

SCHEMBL11029036

COc1ccc(CN2Cc3c(-c4ccc(F)cc4F)ccnc3NC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.42
GAA P10253 1/20 0.42
MAPK14 Q16539 1/20 0.40
GRM2 Q14416 3/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
HTR2A P28223 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
CYP11B2 P19099 1/20 0.37
UGCG Q16739 1/20 0.37
PIK3R1 P27986 1/20 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
SCHEMBL16340469 0.85 GAA (0.49) IDH1GAAGRM2OPRM1OPRL1
SCHEMBL1160975 0.79 GAA (0.50) IDH1GAAGRM2LMNAMAPK1
SCHEMBL11030059 0.76 GAA (0.39) IDH1GAAOPRM1OPRL1LMNA
SCHEMBL14691553 0.73 OPRK1 (0.42) GAAOPRM1
SCHEMBL11026730 0.73 EPHX2 (0.38) IDH1CCNT1CDK9MAPT
SCHEMBL11032474 0.72 PDGFRA (0.43) GAAHTTKDM4EMAPTAURKA
SCHEMBL11031640 0.71 AURKA (0.53) LMNAHTTKDM4EMAPTAURKA
SCHEMBL11029944 0.71 MAPT (0.43) HTTKDM4EMAPTAURKAALDH1A1
SCHEMBL11027741 0.71 AURKA (0.53) LMNAMAPTAURKA
SCHEMBL11029810 0.71 MEN1 (0.46)

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 7 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
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
US-20120190654-A1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2012-07-26 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-20120190654-A1 NOVEL BICYCLIC UREA COMPOUNDS CCNC, CCNI, CCNA1 IDH1 747/4885GAA 3502/4885MAPK14 1259/4885

“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.