SCHEMBL2490212

SCHEMBL2490212

CNc1cc2c(cc1N)C(C)(C)C(=O)N2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.45
PDK4 Q16654 2/20 0.45
PDK1 Q15118 1/20 0.45
PDK3 Q15120 1/20 0.45
ATAD2 Q6PL18 1/20 0.42
PGR P06401 7/20 0.39
PDE3B Q13370 6/20 0.38
PDE3A Q14432 6/20 0.38
PDE4A P27815 5/20 0.38
PDE4B Q07343 5/20 0.38
PDE4C Q08493 5/20 0.38
PDE4D Q08499 5/20 0.38
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
MAPK14 Q16539 2/20 0.35
IDO1 P14902 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
SCHEMBL2486621 0.93 PDK2 (0.45) PDK2PDK4PDK1PDK3ATAD2
SCHEMBL4138321 0.82 ATAD2 (0.50) PDK2PDK4ATAD2PGRPDE3B
SCHEMBL10661430 0.78 HDAC1 (0.41) PDK2PDK4ATAD2PGRPDE3B
SCHEMBL10517587 0.76 ATAD2 (0.45) PDK2PDK4ATAD2PGRPDE3B
SCHEMBL31219713 0.76 ATAD2 (0.45) PDK2PDK4ATAD2PGRPDE3B
Hydrochloric Acid SCHEMBL9559266 0.75 ATAD2 (0.44) PDK2PDK4ATAD2PGRPDE3B
SCHEMBL10566536 0.72 SMN1; SMN2 (0.47)
SCHEMBL2487418 0.71 TDP1 (0.49) PDK2PDK4ATAD2PGRPDE3B
SCHEMBL13545349 0.69 PDK2 (0.52) PDK2PDK4PDK1PDK3ATAD2
SCHEMBL14566623 0.69 PDK2 (0.52) PDK2PDK4PDK1PDK3ATAD2

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
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
EP-1598353-A1 Pyrrolobenzimidazolones and their use as antiproliferative agents Boehringer Ingelheim International GmbH (DE) 2005-11-23 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 PDK2 137/4885PDK4 150/4885PDK1 59/4885

“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.