SCHEMBL11028642

SCHEMBL11028642

COc1ccc(CN2Cc3c(Nc4ccc(NS(=O)(=O)c5ccc(F)c(F)c5)cc4)ccnc3NC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
LMNA P02545 7/20 0.43
HTT P42858 4/20 0.43
PSMD14 O00487 1/20 0.39
APAF1 O14727 1/20 0.39
UBE2N P61088 1/20 0.39
PKM P14618 2/20 0.39
BRD4 O60885 1/20 0.38
PGR P06401 1/20 0.38
ALDH1A1 P00352 6/20 0.37
THRB P10828 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.37
TP53 P04637 2/20 0.37
FAM20C Q8IXL6 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 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
SCHEMBL11032474 0.84 PDGFRA (0.43) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL11886916 0.79 GAA (0.40) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11029374 0.79 KDM4E (0.43) ALDH1A1SMN1; SMN2
SCHEMBL11028904 0.78 SLC22A12 (0.45)
SCHEMBL11029418 0.78 IDH1 (0.44) MAPTLMNAHTTALDH1A1SMN1; SMN2
SCHEMBL1160763 0.78 AXL (0.43) MAPTBRD4PGRALDH1A1HPGD
SCHEMBL11029018 0.76 SMN1; SMN2 (0.39) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL11030470 0.76 ROCK2 (0.51)
SCHEMBL16340469 0.76 GAA (0.49) MAPTLMNAHTTALDH1A1MEN1
SCHEMBL11031649 0.75 LMNA (0.43) MAPTLMNAHTTPKMBRD4

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 MAPT 3151/4885LMNA 3088/4885HTT 2547/4885

“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.