SCHEMBL2490683

SCHEMBL2490683

COC(=O)C=Cc1nccn1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TYR P14679 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
FDPS P14324 2/20 0.41
NFE2L2 Q16236 3/20 0.39
KEAP1 Q14145 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TTR P02766 1/20 0.38
APP P05067 1/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL2490681 1.00 CA12 (0.41) CA12CA1CA2TYRCA7
SCHEMBL6182379 0.83 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL6376840 0.83 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL1756842 0.81 TBXAS1 (0.40) KMT2AMEN1FDPSHCAR2ALDH1A1
SCHEMBL7171507 0.81 PTP4A3 (0.38) KMT2AMEN1FDPSKDM4ESMN1; SMN2
SCHEMBL7171508 0.81 PTP4A3 (0.38) KMT2AMEN1FDPSKDM4ESMN1; SMN2
SCHEMBL1756847 0.81 TBXAS1 (0.40) KMT2AMEN1FDPSHCAR2ALDH1A1
SCHEMBL18083997 0.80 KMT2A (0.39) CA12CA1CA2TYRCA7
SCHEMBL16854062 0.80 CCNC (0.40) KMT2AMEN1FDPSSMN1; SMN2CYP1A2
SCHEMBL18084017 0.80 CA12 (0.38) CA12CA1CA2TYRCA7

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 CA12 4355/4885CA1 4628/4885CA2 4263/4885

“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.