SCHEMBL11029944

SCHEMBL11029944

COc1ccc(CN2Cc3c(Nc4ccc(NC(=O)Nc5ccc(F)cc5C(F)(F)F)cc4)ccnc3NC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AURKA O14965 5/20 0.41
PDGFRA P16234 1/20 0.40
HTT P42858 1/20 0.40
BRAF P15056 5/20 0.38
KDR P35968 1/20 0.38
RAF1 P04049 1/20 0.38
CHEK2 O96017 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
FLT4 P35916 1/20 0.38
ABL2 P42684 1/20 0.38
BLK P51451 1/20 0.38

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
SCHEMBL11027741 0.90 AURKA (0.53) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL11032474 0.86 PDGFRA (0.43) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL1161031 0.85 AURKA (0.55) MAPTAURKAKDRRAF1CHEK2
SCHEMBL11029018 0.83 SMN1; SMN2 (0.39) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL11886916 0.79 GAA (0.40) MEN1KMT2AALDH1A1SMN1; SMN2AURKA
SCHEMBL11029374 0.79 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2AURKA
SCHEMBL1161182 0.79 AURKA (0.51) MAPTKMT2ANPC1RAB9AAURKA
SCHEMBL11032433 0.78 EPHX2 (0.46) MAPTKMT2AKDM4EALDH1A1NPC1
SCHEMBL1160876 0.77 AURKA (0.47) AURKAHTTBRAFKDRCHEK2
SCHEMBL11031640 0.77 AURKA (0.53) MAPTMEN1KMT2AKDM4EALDH1A1

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 MAPT 3151/4885MEN1 1765/4885KMT2A 708/4885

“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.