SCHEMBL2490886

SCHEMBL2490886

CN1C(=O)C2(CC2)c2cc(N)c(N)cc21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 9/20 0.41
OPRK1 P41145 8/20 0.41
OPRM1 P35372 8/20 0.41
OPRD1 P41143 3/20 0.41
IP6K1 Q92551 1/20 0.40
MPI P34949 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDR P35968 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL2486439 0.82 TDP1 (0.58) OPRL1OPRK1OPRM1OPRD1IP6K1
SCHEMBL30184152 0.80 KDM4E (0.43) OPRL1OPRK1OPRM1OPRD1IP6K1
SCHEMBL30184080 0.80 KDM4E (0.43) OPRL1OPRK1OPRM1OPRD1IP6K1
SCHEMBL23577945 0.80 KDM4E (0.43) OPRL1OPRK1OPRM1OPRD1IP6K1
SCHEMBL23590783 0.80 KDM4E (0.43) OPRL1OPRK1OPRM1OPRD1IP6K1
SCHEMBL2488961 0.79 OPRL1 (0.48) OPRL1OPRK1OPRM1OPRD1IP6K1
SCHEMBL23590784 0.79 OPRL1 (0.38) OPRL1OPRK1OPRM1OPRD1IP6K1
SCHEMBL4950174 0.78 MPI (0.45) MPITDP1POLB
SCHEMBL23577793 0.75 KDM4E (0.41) OPRL1OPRK1OPRM1OPRD1IP6K1
SCHEMBL14310669 0.74 OPRK1 (0.62) OPRL1OPRK1OPRM1OPRD1IP6K1

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 3 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

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 OPRL1 3406/4885OPRK1 2110/4885OPRM1 3658/4885

“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.