SCHEMBL2489428

SCHEMBL2489428

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.50
AURKB Q96GD4 2/20 0.50
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
SCN9A Q15858 6/20 0.34
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
MGLL Q99685 2/20 0.32
FAAH O00519 1/20 0.32
TSSK1B Q9BXA7 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 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
SCHEMBL2488149 0.87 AURKA (0.48) AURKAAURKBCHEK1SRCCDK2
SCHEMBL2513543 0.86 AURKA (0.50) AURKAAURKBCHEK1SRCCDK2
SCHEMBL2489263 0.84 AURKA (0.48) AURKAAURKBCHEK1SRCCDK2
SCHEMBL2486921 0.84 AURKA (0.48) AURKAAURKBCHEK1SRCCDK2
SCHEMBL2485583 0.84 AURKA (0.48) AURKAAURKBCHEK1SRCCDK2
SCHEMBL13341289 0.84 AURKA (0.52) AURKAAURKBKMT2AMEN1TP53
SCHEMBL13341292 0.83 AURKA (0.50) AURKAAURKBKDRKMT2AMEN1
SCHEMBL2492668 0.83 AURKA (0.47) AURKAAURKBCHEK1SRCCDK2
SCHEMBL13368132 0.82 AURKA (0.53) AURKAAURKBSCN9ATP53MAPT
SCHEMBL3429042 0.81 AURKA (0.46) AURKAAURKBCHEK1SRCCDK2

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 215/4885CHEK1 155/4885

“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.