SCHEMBL2490879

SCHEMBL2490879

CCCCCN1C(=O)C(C)(C)c2cc3[nH]c(C(=O)Nc4ccccc4)nc3cc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
DGAT1 O75907 1/20 0.40
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
CCKBR P32239 1/20 0.38
TP53 P04637 4/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
SCN9A Q15858 2/20 0.35
THRB P10828 1/20 0.35
MARK3 P27448 1/20 0.35
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35

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
SCHEMBL2491110 0.87 KDR (0.41) AURKAAURKBCCKBRTP53MAPT
SCHEMBL2516486 0.84 NPC1 (0.45) AURKAAURKBTP53LMNAMEN1
SCHEMBL13341410 0.83 AURKA (0.43) AURKAAURKBMAPTLMNASCN9A
SCHEMBL13368132 0.80 AURKA (0.53) AURKAAURKBTP53MAPTLMNA
SCHEMBL13341574 0.80 NPC1 (0.48) AURKAAURKBTP53LMNAMEN1
SCHEMBL13341602 0.80 AURKA (0.42) AURKAAURKBCNR2TP53LMNA
SCHEMBL13341571 0.80 ALDH1A1 (0.44) AURKAAURKBMEN1KMT2APOLB
SCHEMBL13341569 0.80 AURKA (0.40) AURKAAURKBLMNARAF1BRAF
SCHEMBL2485551 0.79 XBP1 (0.41) AURKAAURKBMAPTMEN1KMT2A
SCHEMBL2486891 0.79 RAB9A (0.47) AURKAAURKBTP53LMNAMEN1

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 6 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
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 215/4885DGAT1 3993/4885

“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.