SCHEMBL2490402

SCHEMBL2490402

Cc1nc(C)c(CN2C(=O)C(C)(C)c3cc(N)c([N+](=O)[O-])cc32)s1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
MPI P34949 1/20 0.46
TSHR P16473 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
PARG Q86W56 3/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL13341371 0.88 PARG (0.34) AURKAAURKBPARG
SCHEMBL2486409 0.78 TDP1 (0.49) TDP1MPITSHRKDM4EALDH1A1
SCHEMBL2486920 0.78 TDP1 (0.56) TDP1MPITSHRCYP1A2CYP2C9
SCHEMBL2487029 0.77 MPI (0.46) TDP1MPITSHRCYP1A2CYP2C9
SCHEMBL2486391 0.77 MPI (0.46) TDP1MPITSHRCYP1A2CYP2C9
SCHEMBL2488757 0.77 TDP1 (0.50) TDP1MPITSHRALDH1A1MAPT
SCHEMBL2488865 0.76 AURKA (0.42) TDP1AURKAAURKBPARGALDH1A1
SCHEMBL2488630 0.76 TDP1 (0.57) TDP1MPITSHRCYP1A2CYP2C9
SCHEMBL2486933 0.76 TDP1 (0.49) TDP1MPITSHRALDH1A1MAPT
SCHEMBL2487551 0.76 TDP1 (0.49) TDP1MPITSHRCYP1A2CYP2C9

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 TDP1 452/4885MPI 2348/4885TSHR 831/4885

“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.