SCHEMBL2492338

SCHEMBL2492338

CC1(C)C(=O)Nc2cc3c(cc21)NC(C[N+](=O)[O-])N3

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.42
ATAD2 Q6PL18 1/20 0.41
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
PDE3B Q13370 6/20 0.35
PDE3A Q14432 6/20 0.35
PDE4A P27815 5/20 0.35
PDE4B Q07343 5/20 0.35
PDE4C Q08493 5/20 0.35
PDE4D Q08499 5/20 0.35
IDO1 P14902 1/20 0.33
AKR1B1 P15121 1/20 0.33
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
MAPK14 Q16539 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
SCHEMBL9835634 0.78 ATAD2 (0.44) PGRATAD2PDK2PDK4PDE3B
SCHEMBL10667579 0.73 ATAD2 (0.49) PGRATAD2PDK2PDK4PDE3B
SCHEMBL9835182 0.73 ATAD2 (0.49) PGRATAD2PDK2PDK4PDE3B
SCHEMBL10662924 0.73 ATAD2 (0.40) PGRATAD2PDK2PDK4PDE3B
SCHEMBL9835652 0.71 ATAD2 (0.46) PGRATAD2PDK2PDK4PDE3B
SCHEMBL9835271 0.71 ATAD2 (0.43) PGRATAD2PDK2PDK4PDE3B
SCHEMBL9832387 0.70 ATAD2 (0.45) PGRATAD2PDK2PDK4PDE3B
SCHEMBL10669580 0.70 ATAD2 (0.45) PGRATAD2PDK2PDK4PDE3B
SCHEMBL9831560 0.70 PGR (0.41) PGRATAD2PDK2PDK4PDE3B
SCHEMBL9834623 0.70 ATAD2 (0.42) PGRATAD2PDK2PDK4PDE3B

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 PGR 355/4885ATAD2 2801/4885PDK2 137/4885

“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.