SCHEMBL4673403

SCHEMBL4673403

COCc1cc(C(=O)C=C(O)c2nc[nH]n2)cn1Cc1ccccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
KDM4E B2RXH2 4/20 0.35
SYK P43405 2/20 0.34
AURKB Q96GD4 2/20 0.34
INCENP Q9NQS7 2/20 0.34
KDM4C Q9H3R0 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRA1D P25100 1/20 0.33
ALDH1A1 P00352 3/20 0.33
SLC16A3 O15427 2/20 0.33
SLC16A1 P53985 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TLR7 Q9NYK1 2/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL4676986 0.91 PARP10 (0.36) BRD4KDM4ESYKAURKBINCENP
SCHEMBL4676863 0.88 KDM4E (0.34) BRD4KDM4ESYKAURKBINCENP
SCHEMBL4672736 0.85 KDM4E (0.35) BRD4KDM4ESYKAURKBINCENP
SCHEMBL5899407 0.85 USP2 (0.39) BRD4MEN1KMT2AALDH1A1SLC16A3
SCHEMBL4674731 0.85 KDM4E (0.40) BRD4KDM4ESYKAURKBINCENP
SCHEMBL4674681 0.83 KDM4C (0.39) BRD4KDM4EKDM4CMEN1KMT2A
SCHEMBL4678065 0.83 ALDH1A1 (0.35) BRD4ALDH1A1SMN1; SMN2HSP90AA1HSP90B1
SCHEMBL4673982 0.82 ALDH1A1 (0.39) BRD4KDM4EALDH1A1HPGDTSHR
SCHEMBL4676963 0.82 KDM4C (0.41) BRD4KDM4EKDM4CADRA1DALDH1A1
SCHEMBL4671361 0.80 KDM4C (0.39) BRD4KDM4EKDM4CMEN1KMT2A

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 BRD4 728/4885KDM4E 947/4885SYK 3784/4885

“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.