SCHEMBL2489451

SCHEMBL2489451

CCN1C(=O)C(C)(C)c2cc3[nH]c(NC(=O)c4ccccc4)nc3cc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.52
AURKB Q96GD4 1/20 0.52
NPC1 O15118 11/20 0.49
RAB9A P51151 11/20 0.49
PKM P14618 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MAOB P27338 1/20 0.49
ADORA2A P29274 1/20 0.49
KLF5 Q13887 2/20 0.46
SCD O00767 1/20 0.46
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
IRAK4 Q9NWZ3 4/20 0.43
OPRK1 P41145 1/20 0.43
POLB P06746 2/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL2489994 0.92 NPC1 (0.47) AURKAAURKBNPC1RAB9APKM
SCHEMBL2516486 0.90 NPC1 (0.45) AURKAAURKBNPC1RAB9APKM
SCHEMBL13367906 0.89 NPC1 (0.47) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL2490085 0.87 NPC1 (0.52) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL2489384 0.87 NPC1 (0.46) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL13341623 0.86 NPC1 (0.47) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL2485985 0.85 NPC1 (0.44) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL2492168 0.85 NPC1 (0.44) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL13341619 0.85 NPC1 (0.44) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL2485982 0.85 NPC1 (0.44) NPC1RAB9APKMSMN1; SMN2MAOB

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 5 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

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 215/4885NPC1 2360/4885

“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.