SCHEMBL2492335

SCHEMBL2492335

CC1(C)C(=O)Nc2cc3[nH]c(C[N+](=O)[O-])nc3cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.49
PDE3A Q14432 2/20 0.49
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
AURKA O14965 3/20 0.48
AURKB Q96GD4 3/20 0.48
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.39
PGR P06401 3/20 0.38
MAPT P10636 3/20 0.38
KCNJ1 P48048 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
PKM P14618 2/20 0.35
RIPK1 Q13546 1/20 0.35
HPGD P15428 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
ATAD2 Q6PL18 1/20 0.34

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
SCHEMBL9835346 0.83 PDE3B (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9834905 0.79 PDE4A (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9834966 0.78 AURKA (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9597875 0.77 PGR (0.42) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10374847 0.77 PDE4A (0.64) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10662905 0.77 PRKAG1 (0.55) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9835224 0.77 PDE4A (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9833678 0.76 PDE3B (0.59) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9835173 0.76 PDE3B (0.54) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9833708 0.75 PDE3B (0.44) PDE3BPDE3APDE4APDE4BPDE4C

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
US-20050261350-A1 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 US claimed
EP-1598353-A1 Pyrrolobenzimidazolones and their use as antiproliferative agents Boehringer Ingelheim International GmbH (DE) 2005-11-23 EP claimed
EP-1756112-B1 PYRROLOBENZIMIDAZOLONES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS BOEHRINGER INGELHEIM INT (DE) 2011-10-26 EP disclosed
US-20050261350-A1 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 US disclosed
US-5212186-A Asthma, anticoagulant BEIERSDORF AKTIENGESELLSCHAFT (DE) 1993-05-18 US disclosed
EP-0473963-A1 Pyrrolobenzimidazoles, imidazobenzoxazinones, and imidazoquinolones, processes for their preparation and their use as well as compositions containing these compounds Beiersdorf-Lilly GmbH (DE) 1992-03-11 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 PDE3B 1848/4885PDE3A 2080/4885PDE4A 2848/4885

“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.