SCHEMBL2489245

SCHEMBL2489245

CCCCCN1C(=O)C(C)(C)c2cc3[nH]c(CNC(=O)c4cccc(OC)c4)nc3cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBX7 O95931 1/20 0.44
CDYL2 Q8N8U2 1/20 0.44
CDYL Q9Y232 1/20 0.44
CDY1; CDY1B Q9Y6F8 1/20 0.44
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 1/20 0.42
MAPK10 P53779 1/20 0.42
ADORA2A P29274 3/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 3/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CSNK1E P49674 1/20 0.39
CSNK1G3 Q9Y6M4 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 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
SCHEMBL13341670 0.97 CBX7 (0.44) CBX7CDYL2CDYLCDY1; CDY1BMAPT
SCHEMBL2490184 0.93 F9 (0.47) CBX7CDYL2CDYLCDY1; CDY1BMAPT
SCHEMBL2486791 0.83 POLB (0.48) CBX7CDYL2CDYLCDY1; CDY1BMAPT
SCHEMBL13341666 0.80 POLB (0.48) CBX7CDYL2CDYLCDY1; CDY1BMAPT
SCHEMBL13341299 0.80 AURKA (0.48) CBX7CDYL2CDYLCDY1; CDY1BTSHR
SCHEMBL13341283 0.80 HDAC1 (0.44) CBX7CDYL2CDYLCDY1; CDY1BMAPT
SCHEMBL2489429 0.80 AURKA (0.43) KMT2ASMN1; SMN2ADORA1
SCHEMBL2492919 0.78 RAB9A (0.43) GAATSHRMEN1ALDH1A1KMT2A
SCHEMBL2486921 0.77 AURKA (0.48) MAPTKMT2ATP53
SCHEMBL13341410 0.77 AURKA (0.43) MAPTGAATSHRALDH1A1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756112-B1 PYRROLOBENZIMIDAZOLONES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS BOEHRINGER INGELHEIM INT (DE) 2011-10-26 EP disclosed
US-7714010-B2 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-20050261350-A1 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 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-20050261350-A1 Pyrrolobenzimidazolones and their use as anti-proliferative agents MKI67, CCNI, CCNA1 CBX7 2319/4885CDYL2 3564/4885CDYL 3129/4885

“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.