SCHEMBL2486891

SCHEMBL2486891

CCCCCN1C(=O)C(C)(C)c2cc3[nH]c(NCc4ccccc4)nc3cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
GFER P55789 1/20 0.47
HIF1A Q16665 1/20 0.47
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
MEN1 O00255 2/20 0.45
POLB P06746 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 2/20 0.44
HDAC6 Q9UBN7 2/20 0.42
RECQL P46063 1/20 0.41
ADRA2A P08913 1/20 0.39
TYMS P04818 2/20 0.39
XDH P47989 1/20 0.38
BCHE P06276 1/20 0.38
TRPC3 Q13507 1/20 0.38
TRPC4 Q9UBN4 1/20 0.38

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
SCHEMBL13341654 0.96 RAB9A (0.47) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL13341658 0.87 PDE9A (0.41) RAB9ASMN1; SMN2LMNAHTTGFER
SCHEMBL2489263 0.85 AURKA (0.48) RAB9ASMN1; SMN2LMNAHTTHIF1A
SCHEMBL2516486 0.84 NPC1 (0.45) RAB9ASMN1; SMN2LMNAHTTAURKA
SCHEMBL2486434 0.84 BRAF (0.46) RAB9ASMN1; SMN2LMNAHIF1AAURKA
SCHEMBL13341279 0.84 AURKA (0.44) RAB9ASMN1; SMN2LMNAHTTAURKA
SCHEMBL2491110 0.84 KDR (0.41) RAB9ASMN1; SMN2LMNAHIF1AAURKA
SCHEMBL13341410 0.83 AURKA (0.43) RAB9ASMN1; SMN2LMNAAURKAAURKB
SCHEMBL13368132 0.82 AURKA (0.53) RAB9ASMN1; SMN2LMNAAURKAAURKB
SCHEMBL13341409 0.81 AURKA (0.42) AURKAAURKBMEN1KMT2ATP53

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 RAB9A 2329/4885SMN1; SMN2 1967/4885LMNA 2554/4885

“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.