SCHEMBL2489263

SCHEMBL2489263

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.48
AURKB Q96GD4 2/20 0.48
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
RIPK1 Q13546 1/20 0.34
CHEK1 O14757 1/20 0.34
SRC P12931 1/20 0.34
CDK2 P24941 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
GSK3B P49841 1/20 0.34
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
TYMS P04818 1/20 0.34
SCN9A Q15858 7/20 0.33
TUBB4A P04350 3/20 0.32
TUBB P07437 3/20 0.32
TUBA3C P0DPH7 3/20 0.32
TUBA1B P68363 3/20 0.32
TUBA4A P68366 3/20 0.32

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
SCHEMBL2491460 0.87 AURKA (0.45) AURKAAURKBTUBB4ATUBBTUBA3C
SCHEMBL2490924 0.86 LMNA (0.50) AURKAAURKBKDRRAF1BRAF
SCHEMBL2486891 0.85 RAB9A (0.47) AURKAAURKBCCNT1CDK9RIPK1
SCHEMBL2489428 0.84 AURKA (0.50) AURKAAURKBCHEK1SRCCDK2
SCHEMBL2513543 0.84 AURKA (0.50) AURKAAURKBCHEK1SRCCDK2
SCHEMBL13341408 0.84 TUBB4A (0.46) AURKAAURKBRAF1BRAFTUBB4A
SCHEMBL2516486 0.83 NPC1 (0.45) AURKAAURKBTUBB4ATUBBTUBA3C
SCHEMBL13341406 0.83 TUBB4A (0.49) AURKAAURKBRAF1BRAFTUBB4A
SCHEMBL2486921 0.83 AURKA (0.48) AURKAAURKBCHEK1SRCCDK2
SCHEMBL2488149 0.83 AURKA (0.48) AURKAAURKBCHEK1SRCCDK2

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 215/4885CCNT1 4/4885

“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.