SCHEMBL2489429

SCHEMBL2489429

CCCCCN1C(=O)C(C)(C)c2cc3[nH]c(CNC(=O)OC(C)(C)C)nc3cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.43
AURKB Q96GD4 2/20 0.43
CACNA1H O95180 2/20 0.42
CACNA1B Q00975 1/20 0.42
CACNA1C Q13936 1/20 0.42
CNR2 P34972 1/20 0.33
CACNA1G O43497 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
BCHE P06276 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
SCN9A Q15858 2/20 0.32
KMT2A Q03164 1/20 0.31
TSSK1B Q9BXA7 1/20 0.31
CHEK1 O14757 1/20 0.31
SRC P12931 1/20 0.31
CDK2 P24941 1/20 0.31
KDR P35968 1/20 0.31
FLT3 P36888 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL2486712 0.92 AURKA (0.41) AURKAAURKBCACNA1HCACNA1BCACNA1C
SCHEMBL2486921 0.82 AURKA (0.48) AURKAAURKBCACNA1HSCN9AKMT2A
SCHEMBL2488149 0.82 AURKA (0.48) AURKAAURKBCACNA1HKDM4ESCN9A
SCHEMBL3429042 0.81 AURKA (0.46) AURKAAURKBSCN9AKMT2ATSSK1B
SCHEMBL2485583 0.80 AURKA (0.48) AURKAAURKBCACNA1HSCN9AKMT2A
SCHEMBL2489245 0.80 CBX7 (0.44) KMT2AADORA1SMN1; SMN2
SCHEMBL2490924 0.79 LMNA (0.50) AURKAAURKBLMNAKMT2AKDR
SCHEMBL2492668 0.78 AURKA (0.47) AURKAAURKBKDM4ESCN9AKMT2A
SCHEMBL13341410 0.78 AURKA (0.43) AURKAAURKBLMNASCN9ACDK2
SCHEMBL13341408 0.78 TUBB4A (0.46) AURKAAURKBLMNAKMT2ASMN1; SMN2

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
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-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 AURKA 268/4885AURKB 215/4885CACNA1H 4569/4885

“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.