SCHEMBL2489352

SCHEMBL2489352

CCCCCN1C(=O)C(C)(C)c2cc3[nH]c(CCc4cccc(N)c4)nc3cc21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 1/20 0.50
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.35
GFER P55789 1/20 0.35
PKM P14618 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL13341279 0.90 AURKA (0.44) MAPTRAB9ASMN1; SMN2HTTLMNA
SCHEMBL2486668 0.85 NPC1 (0.54) MAPTRAB9ASMN1; SMN2AURKAAURKB
SCHEMBL13341283 0.84 HDAC1 (0.44) MAPTRAB9ASMN1; SMN2HTTLMNA
SCHEMBL2492668 0.84 AURKA (0.47) MAPTHTTAURKAAURKBKMT2A
SCHEMBL13368199 0.83 AURKA (0.46) MAPTRAB9ASMN1; SMN2HTTLMNA
SCHEMBL13341287 0.82 AURKA (0.41) RAB9AHTTLMNAAURKAAURKB
SCHEMBL13341422 0.82 SCN9A (0.47) MAPTHTTAURKAAURKBKMT2A
SCHEMBL2485583 0.82 AURKA (0.48) MAPTSMN1; SMN2HTTAURKAAURKB
SCHEMBL13341286 0.82 AURKA (0.41) RAB9ASMN1; SMN2AURKAAURKBKMT2A
SCHEMBL13341277 0.81 AURKA (0.42) AURKAAURKBALDH1A1KMT2A

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 MAPT 2325/4885RAB9A 2329/4885SMN1; SMN2 1967/4885

“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.