SCHEMBL11032474

SCHEMBL11032474

COc1ccc(CN2Cc3c(Nc4ccc(NC(=O)Nc5ccc(F)c(F)c5)cc4)ccnc3NC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 2/20 0.43
MAPT P10636 6/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
KDR P35968 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MET P08581 1/20 0.39
RET P07949 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
TP53 P04637 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
AURKA O14965 1/20 0.39

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
SCHEMBL11029944 0.86 MAPT (0.43) PDGFRAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11028642 0.84 MAPT (0.43) MAPTSMN1; SMN2HTTMEN1KMT2A
SCHEMBL11029018 0.84 SMN1; SMN2 (0.39) PDGFRAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11886916 0.83 GAA (0.40) PDGFRASMN1; SMN2MEN1KMT2AGAA
SCHEMBL11029374 0.83 KDM4E (0.43) SMN1; SMN2GAAALDH1A1KDM4EPOLB
SCHEMBL1161182 0.83 AURKA (0.51) MAPTNPC1RAB9AKMT2ARET
SCHEMBL11031294 0.82 KDM4E (0.45) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL11032433 0.82 EPHX2 (0.46) PDGFRAMAPTNPC1KMT2AGAA
SCHEMBL11886915 0.82 MET (0.47) PDGFRAKDRMETRAF1BRAF
SCHEMBL11031640 0.81 AURKA (0.53) MAPTNPC1RAB9ASMN1; SMN2HTT

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 PDGFRA 3238/4885MAPT 3151/4885NPC1 1489/4885

“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.