SCHEMBL11026730

SCHEMBL11026730

COc1ccc(CN2Cc3c(-c4ccc(C(=O)NCc5ccc(F)c(OC)c5)s4)ccnc3NC2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
KMT2A Q03164 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
MAPT P10636 2/20 0.37
AKT3 Q9Y243 1/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
WDR5 P61964 1/20 0.36
IDH1 O75874 1/20 0.36
MMP10 P09238 1/20 0.35
MMP13 P45452 1/20 0.35
CHRM4 P08173 2/20 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
SCHEMBL1161251 0.83 KMT2A (0.42) EPHX2HDAC3HDAC1KMT2AHDAC4
SCHEMBL11029036 0.73 IDH1 (0.42) MAPTCCNT1CDK9IDH1
SCHEMBL16340469 0.73 GAA (0.49) KMT2AHDAC6MAPTIDH1MMP13
SCHEMBL1160975 0.68 GAA (0.50) KMT2AHDAC6MAPTIDH1MMP13
SCHEMBL11030863 0.68 MST1R (0.47) MAPT
SCHEMBL14691553 0.68 OPRK1 (0.42) HDAC6RAF1BRAF
SCHEMBL11032474 0.68 PDGFRA (0.43) KMT2AMAPTRAF1BRAF
SCHEMBL11030059 0.67 GAA (0.39) MAPTRAF1BRAFIDH1
SCHEMBL11039120 0.67 MAPK10 (0.47) KMT2AHDAC6IDH1
SCHEMBL11027623 0.66 GAA (0.42) KMT2AHDAC6ROCK2ROCK1MAPT

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
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
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 EPHX2 2987/4885HDAC3 1410/4885HDAC1 291/4885

“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.