SCHEMBL2490085

SCHEMBL2490085

CN1C(=O)C(C)(C)c2cc3[nH]c(NC(=O)c4ccccc4)nc3cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.52
RAB9A P51151 13/20 0.52
PKM P14618 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
MAOB P27338 1/20 0.52
ADORA2A P29274 1/20 0.52
SCD O00767 1/20 0.48
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
KLF5 Q13887 2/20 0.46
OPRK1 P41145 1/20 0.46
IRAK4 Q9NWZ3 4/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43

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
SCHEMBL13341553 0.89 IRAK4 (0.43) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL13341550 0.88 NPC1 (0.60) NPC1RAB9APKMSMN1; SMN2MEN1
SCHEMBL2489994 0.87 NPC1 (0.47) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL2489451 0.87 AURKA (0.52) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL2487316 0.86 NPC1 (0.50) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL2516486 0.85 NPC1 (0.45) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL13341555 0.84 RAB9A (0.50) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL13367906 0.83 NPC1 (0.47) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL13341398 0.83 LMNA (0.47) SMN1; SMN2ADORA2AMEN1KMT2APOLB
SCHEMBL2488874 0.82 NPC1 (0.46) 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 3 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

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 2329/4885PKM 642/4885

“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.