SCHEMBL2489032

SCHEMBL2489032

C#CCN1C(=O)C(C)(C)c2cc(N)c(N)cc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.39
CYP19A1 P11511 1/20 0.35
ALDH1A1 P00352 6/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
TP53 P04637 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
MPI P34949 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL2489558 0.84 TDP1 (0.52) PGRALDH1A1KMT2AMPITDP1
SCHEMBL2491389 0.82 AURKA (0.33) AURKAAURKB
SCHEMBL2486094 0.81 AURKA (0.44) PGRCYP19A1ALDH1A1GAAKDM4E
Hydrochloric Acid SCHEMBL10696532 0.80 AURKA (0.43) PGRCYP19A1ALDH1A1GAAKDM4E
SCHEMBL2491924 0.79 AURKA (0.45) PGRCYP19A1ALDH1A1GAAAURKA
SCHEMBL2486662 0.78 PGR (0.37) PGRCYP19A1ALDH1A1KDM4EKMT2A
SCHEMBL2486915 0.78
SCHEMBL5179555 0.77 AURKA (0.32) AURKAAURKBMPITDP1
SCHEMBL5180054 0.76 GAA (0.43) PGRCYP19A1ALDH1A1GAAKDM4E
SCHEMBL6451576 0.76 MEN1 (0.39) CYP19A1ALDH1A1GAAKDM4EKMT2A

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 7 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
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 PGR 355/4885CYP19A1 271/4885ALDH1A1 618/4885

“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.