SCHEMBL2485583

SCHEMBL2485583

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.48
AURKB Q96GD4 2/20 0.48
KMT2A Q03164 2/20 0.37
CACNA1H O95180 2/20 0.36
CHEK1 O14757 1/20 0.34
SRC P12931 1/20 0.34
CDK2 P24941 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
GSK3B P49841 1/20 0.34
SCN9A Q15858 4/20 0.33
USP2 O75604 2/20 0.32
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 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 0.92 AURKA (0.47) AURKAAURKBKMT2ACHEK1SRC
SCHEMBL2488149 0.89 AURKA (0.48) AURKAAURKBKMT2ACACNA1HCHEK1
SCHEMBL2486921 0.89 AURKA (0.48) AURKAAURKBKMT2ACACNA1HCHEK1
SCHEMBL3429042 0.88 AURKA (0.46) AURKAAURKBKMT2ACHEK1SRC
SCHEMBL2513543 0.87 AURKA (0.50) AURKAAURKBKMT2ACHEK1SRC
SCHEMBL2489428 0.84 AURKA (0.50) AURKAAURKBKMT2ACHEK1SRC
SCHEMBL13341279 0.84 AURKA (0.44) AURKAAURKBKMT2AMEN1MAPT
SCHEMBL13341410 0.83 AURKA (0.43) AURKAAURKBCDK2SCN9AMAPT
SCHEMBL2492908 0.83 AURKA (0.43) AURKAAURKBKMT2ACACNA1HCHEK1
SCHEMBL2489263 0.83 AURKA (0.48) AURKAAURKBKMT2ACHEK1SRC

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.