SCHEMBL2486668

SCHEMBL2486668

CCCCCN1C(=O)C(C)(C)c2cc3[nH]c(CCc4cccc(NC(C)=O)c4)nc3cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
RGS12 O14924 1/20 0.39
NTRK1 P04629 7/20 0.38
NTRK2 Q16620 5/20 0.38
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL13341279 0.86 AURKA (0.44) NPC1RAB9AAURKAAURKBMEN1
SCHEMBL2489352 0.85 MAPT (0.50) NPC1RAB9AAURKAAURKBMEN1
SCHEMBL13341283 0.80 HDAC1 (0.44) RAB9AAURKAAURKBNTRK1MAPT
SCHEMBL13341410 0.80 AURKA (0.43) NPC1RAB9AAURKAAURKBMAPT
SCHEMBL13368199 0.79 AURKA (0.46) NPC1RAB9AAURKAAURKBMEN1
SCHEMBL13341277 0.79 AURKA (0.42) AURKAAURKBKMT2ATSSK1BALDH1A1
SCHEMBL13341287 0.78 AURKA (0.41) NPC1RAB9AAURKAAURKBMEN1
SCHEMBL2492668 0.78 AURKA (0.47) AURKAAURKBMEN1KMT2AKDM4E
SCHEMBL13341422 0.78 SCN9A (0.47) AURKAAURKBMEN1KMT2AKDM4E
SCHEMBL2486921 0.78 AURKA (0.48) AURKAAURKBKMT2AMAPTTSSK1B

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
US-7714010-B2 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-20050261350-A1 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 US 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 NPC1 2360/4885RAB9A 2329/4885AURKA 268/4885

“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.