SCHEMBL2492908

SCHEMBL2492908

CCCCCN1C(=O)C(C)(C)c2cc3[nH]c(CCN4CCCCC4)nc3cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.43
AURKB Q96GD4 2/20 0.43
KMT2A Q03164 1/20 0.38
PARP1 P09874 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CDC7 O00311 1/20 0.35
ROCK1 Q13464 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
CHEK1 O14757 1/20 0.35
SRC P12931 1/20 0.35
CDK2 P24941 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
GSK3B P49841 1/20 0.35
TLR7 Q9NYK1 7/20 0.34
CHRNA7 P36544 1/20 0.33
CACNA1H O95180 1/20 0.32

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
SCHEMBL2492668 0.85 AURKA (0.47) AURKAAURKBKMT2AKDM4ECHEK1
SCHEMBL13341270 0.84 AURKA (0.43) AURKAAURKBKMT2ACHEK1SRC
SCHEMBL2485583 0.83 AURKA (0.48) AURKAAURKBKMT2AHPGDCHEK1
SCHEMBL2486921 0.83 AURKA (0.48) AURKAAURKBKMT2ACHEK1SRC
SCHEMBL2488149 0.83 AURKA (0.48) AURKAAURKBKMT2AALDH1A1KDM4E
SCHEMBL13341279 0.82 AURKA (0.44) AURKAAURKBKMT2APARP1ALDH1A1
SCHEMBL3429042 0.80 AURKA (0.46) AURKAAURKBKMT2ACHEK1SRC
SCHEMBL2489263 0.79 AURKA (0.48) AURKAAURKBKMT2AALDH1A1HPGD
SCHEMBL13341277 0.79 AURKA (0.42) AURKAAURKBKMT2AALDH1A1
SCHEMBL13341298 0.79 AURKA (0.45) AURKAAURKBKMT2AKDM4ECHEK1

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 6 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-7714010-B2 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US 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
EP-1598353-A1 Pyrrolobenzimidazolones and their use as antiproliferative agents Boehringer Ingelheim International GmbH (DE) 2005-11-23 EP 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 AURKA 268/4885AURKB 215/4885KMT2A 2581/4885

“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.