SCHEMBL2491110

SCHEMBL2491110

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.41
TEK Q02763 2/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
CCKBR P32239 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ABL1 P00519 2/20 0.40
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
MTOR P42345 2/20 0.39
XBP1 P17861 1/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
TP53 P04637 1/20 0.37
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36

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
SCHEMBL2516486 0.89 NPC1 (0.45) AURKAAURKBNPC1ALDH1A1RAB9A
SCHEMBL2490879 0.87 AURKA (0.42) AURKAAURKBCCKBRRAF1BRAF
SCHEMBL2491460 0.85 AURKA (0.45) AURKAAURKBNPC1ALDH1A1RAB9A
SCHEMBL2486434 0.85 BRAF (0.46) AURKAAURKBNPC1ALDH1A1RAB9A
SCHEMBL13341571 0.84 ALDH1A1 (0.44) AURKAAURKBNPC1ALDH1A1RAB9A
SCHEMBL13341602 0.84 AURKA (0.42) AURKAAURKBNPC1ALDH1A1RAB9A
SCHEMBL13341574 0.84 NPC1 (0.48) AURKAAURKBNPC1ALDH1A1RAB9A
SCHEMBL2490924 0.84 LMNA (0.50) KDRAURKAAURKBALDH1A1SMN1; SMN2
SCHEMBL13341569 0.84 AURKA (0.40) AURKAAURKBNPC1ALDH1A1RAB9A
SCHEMBL2485551 0.84 XBP1 (0.41) AURKAAURKBNPC1ALDH1A1RAB9A

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 KDR 542/4885TEK 745/4885AURKA 268/4885

“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.