SCHEMBL2488937

SCHEMBL2488937

CC1(C)C(=O)Nc2cc3c(cc21)NC(c1cnc2ccccc2c1)N3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
BRD4 O60885 2/20 0.38
CREBBP Q92793 2/20 0.38
PDE3B Q13370 3/20 0.37
PDE3A Q14432 3/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
SLC6A4 P31645 1/20 0.37
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
SRD5A1 P18405 1/20 0.35
SRD5A2 P31213 1/20 0.35
MARK3 P27448 1/20 0.34
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
TDP2 O95551 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
SCHEMBL9835825 0.79 PDK2 (0.50) PDK2PDK4PDE3BPDE3APDE4A
SCHEMBL10568435 0.78 ATAD2 (0.41) PDK2PDK4PDE3BPDE3APDE4A
SCHEMBL9832921 0.77 PDE3B (0.38) PDK2PDK4PDE3BPDE3APDE4A
SCHEMBL2489108 0.75 NPC1 (0.44) PDK2PDK4PDE3BPDE3APDE4A
SCHEMBL10566666 0.74 ATAD2 (0.42) PDK2PDK4PDE3BPDE3APDE4A
SCHEMBL9832061 0.74 PDE3B (0.49) PDK2PDK4PDE3BPDE3APDE4A
SCHEMBL10374222 0.74 ATAD2 (0.42) PDK2PDK4PDE3BPDE3APDE4A
SCHEMBL9834049 0.74 PGR (0.40) PDK2PDK4PDE3BPDE3APDE4A
SCHEMBL10566029 0.74 ATAD2 (0.39) PDK2PDK4PDE3BPDE3APDE4A
SCHEMBL6451500 0.73 PDK2 (0.41) PDK2PDK4BRD4CREBBPPDE3B

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 4 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

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 150/4885BRD4 282/4885

“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.