SCHEMBL11032433

SCHEMBL11032433

COc1ccc(CN2Cc3c(Nc4ccc(NC(=O)CC5CC5)cc4)ccnc3NC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
NAMPT P43490 1/20 0.40
PKM P14618 2/20 0.40
P2RX7 Q99572 1/20 0.40
MAPT P10636 2/20 0.39
MAP2K1 Q02750 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
GPR183 P32249 1/20 0.39
FPR1 P21462 1/20 0.39
FPR2 P25090 1/20 0.39
CRBN Q96SW2 1/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 2/20 0.37
PDGFRA P16234 1/20 0.37
AKR1B1 P15121 1/20 0.37

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
SCHEMBL11029374 0.85 KDM4E (0.43) KDM4EALDH1A1GAA
SCHEMBL11886916 0.85 GAA (0.40) ALDH1A1GAAKMT2APDGFRA
SCHEMBL1161182 0.84 AURKA (0.51) PKMMAPTNPC1KMT2A
SCHEMBL11032474 0.82 PDGFRA (0.43) MAPTKDM4EALDH1A1FPR1FPR2
SCHEMBL11027611 0.81 NAMPT (0.41) EPHX2NAMPTP2RX7NPC1KMT2A
SCHEMBL11029418 0.80 IDH1 (0.44) MAPTALDH1A1GAA
SCHEMBL11029944 0.78 MAPT (0.43) MAPTKDM4EALDH1A1FPR2NPC1
SCHEMBL11027741 0.78 AURKA (0.53) MAPTNPC1KMT2A
SCHEMBL11030470 0.77 ROCK2 (0.51) NPC1
SCHEMBL11039120 0.76 MAPK10 (0.47) GAANPC1KMT2A

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 EPHX2 2987/4885NAMPT 1132/4885PKM 3173/4885

“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.