SCHEMBL2490810

SCHEMBL2490810

CC1(C)C(=O)N(Cc2cscn2)c2cc3[nH]c(N)nc3cc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
BACE1 P56817 1/20 0.34
FABP6 P51161 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
DRD2 P14416 1/20 0.32
KCNH2 Q12809 1/20 0.32
METAP1 P53582 1/20 0.31
RAF1 P04049 1/20 0.30
BRAF P15056 1/20 0.30

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
SCHEMBL12207656 0.82 AURKA (0.40) AURKAAURKBFABP6RAF1BRAF
SCHEMBL2492158 0.81 BACE1 (0.36) AURKAAURKBBACE1SCN5ASCN9A
SCHEMBL2491924 0.78 AURKA (0.45) AURKAAURKBBACE1FABP6RAF1
SCHEMBL13367949 0.78 AURKA (0.47) AURKAAURKBBACE1FABP6RAF1
SCHEMBL2488865 0.78 AURKA (0.42) AURKAAURKBFABP6RAF1BRAF
SCHEMBL2490394 0.76 AURKA (0.42) AURKAAURKBFABP6RAF1BRAF
SCHEMBL13341630 0.76 TP53 (0.38) BRAF
SCHEMBL2487407 0.76 AURKA (0.64) AURKAAURKBBACE1FABP6RAF1
SCHEMBL3424973 0.74 AURKA (0.44) AURKAAURKBFABP6RAF1BRAF
SCHEMBL2487029 0.74 MPI (0.46) BACE1SCN5ASCN9A

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 5 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

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 215/4885BACE1 2709/4885

“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.