SCHEMBL4673301

SCHEMBL4673301

CCc1cc(C(=O)C=C(O)c2nn[nH]n2)n(Cc2ccncc2)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
MAPK10 P53779 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
MAP4K4 O95819 1/20 0.36
AGTR1 P30556 3/20 0.32
AGTR2 P50052 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL4680165 0.90 AGTR1 (0.37) AGTR1
SCHEMBL4673909 0.89 USP2 (0.37) USP2MAPK10CCNCCDK8MAP4K4
SCHEMBL4675583 0.89 P2RY14 (0.39) AGTR1AGTR2
SCHEMBL4671501 0.88 CCNC (0.41) CCNCCDK8MAP4K4AGTR1AGTR2
SCHEMBL4677380 0.88 CCNC (0.37) USP2MAPK10CCNCCDK8MAP4K4
SCHEMBL4730771 0.88 USP2 (0.40) USP2MAPK10MAP4K4AGTR1
SCHEMBL4675104 0.87 PTGDR2 (0.37) MAPK10
SCHEMBL5899353 0.85 USP2 (0.37) USP2MAPK10CCNCCDK8MAP4K4
SCHEMBL5899374 0.85 ERCC5 (0.37) CCNCCDK8MAP4K4
SCHEMBL4672269 0.85 CCNC (0.36) USP2MAPK10CCNCCDK8MAP4K4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1142872-B1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO (JP) 2008-10-15 EP disclosed
US-7098201-B2 Heteroaromatic derivatives having an inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2006-08-29 US disclosed
US-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase FUJISHITA TOSHIO (JP) 2004-01-01 US disclosed
US-6645956-B1 1-(5-(4-fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1H-1,2,4-triazol-3 -yl)-propenone; viricides; AIDS treatment SHIONOGI & CO., LTD. (JP) 2003-11-11 US disclosed
US-6620841-B1 Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) SHIONOGI & CO., LTD. (JP) 2003-09-16 US disclosed
CN-1335834-A Aromatic heterocyclic compounds having HIV integrase inhibitory activity SHIONOGI & CO (JP) 2002-02-13 CN disclosed
EP-1142872-A1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO., LTD. (JP) 2001-10-10 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-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase RCOR1, BCOR, CYP8B1 USP2 3545/4885MAPK10 4133/4885CCNC 543/4885

“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.