SCHEMBL2488976

SCHEMBL2488976

CC#CCCN1C(=O)C(C)(C)c2cc(N)c(N)cc21

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
AURKA O14965 1/20 0.30
AURKB Q96GD4 1/20 0.30

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
SCHEMBL2489127 0.86 TDP1 (0.53) MPITDP1
SCHEMBL2486662 0.81 PGR (0.37) MPITDP1AURKAAURKB
SCHEMBL2489388 0.80 ALDH1A1 (0.37) MPITDP1
SCHEMBL2491051 0.79 AURKA (0.41) TDP1AURKAAURKB
SCHEMBL6451576 0.78 MEN1 (0.39) TDP1AURKAAURKB
SCHEMBL2486094 0.77 AURKA (0.44) MPITDP1AURKAAURKB
SCHEMBL4130724 0.77 ALDH1A1 (0.36) MPITDP1AURKAAURKB
SCHEMBL13341347 0.77 ALDH1A1 (0.35) MPITDP1AURKAAURKB
SCHEMBL6450666 0.77 SCN9A (0.40)
Hydrochloric Acid SCHEMBL10696532 0.76 AURKA (0.43) MPITDP1AURKAAURKB

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
EP-1756112-A1 PYRROLOBENZIMIDAZOLONES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS Boehringer Ingelheim International GmbH (DE) 2007-02-28 EP disclosed
US-20050261350-A1 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 US disclosed
WO-2005111040-A1 PYRROLOBENZIMIDAZOLONES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 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-20050261350-A1 Pyrrolobenzimidazolones and their use as anti-proliferative agents MKI67, CCNI, CCNA1 MPI 2348/4885TDP1 452/4885AURKA 268/4885

“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.