SCHEMBL5667973

SCHEMBL5667973

O=c1[nH]c2cccc(O)c2nc1-c1cccc2c(=O)n(C3CCCC3)[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 13/20 0.50
▸ CDK1 P06493 2/20 0.46
▸ CDK2 P24941 2/20 0.46
▸ CDK6 Q00534 2/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ CDK5 Q00535 1/20 0.46
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PARP1 P09874 5/20 0.37
▸ PARP2 Q9UGN5 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
SCHEMBL5669170 0.72 CDK4 (0.63) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL5667754 0.70 CDK4 (0.51) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL13866275 0.69 CDK4 (0.77) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL13866105 0.68 CDK4 (0.45) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL13866110 0.67 CDK4 (0.44) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL13866111 0.67 CDK4 (0.57) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL13866127 0.67 CDK4 (1.00) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL13866068 0.67 CDK4 (0.77) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL13866101 0.67 CDK4 (0.49) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL13866100 0.67 CDK4 (0.49) CDK4CDK1CDK2CDK6GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7148224-B2 An enzyme inhibitors of cyclin-dependent kinases, antitumor agents; chemical intermediate synthesis BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-12-12 — — US claimed
US-20050176719-A1 Novel pyrazinone derivatives MSD K.K. (JP) 2005-08-11 — — US claimed
EP-1295878-B1 PYRAZINONE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-15 — — EP claimed
US-20030203907-A1 An enzyme inhibitors of cyclin-dependent kinases, antitumor agents; chemical intermediate synthesis MSD K.K. (JP) 2003-10-30 — — US claimed
EP-1295878-A1 NOVEL PYRAZINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 — — EP claimed
US-7148224-B2 An enzyme inhibitors of cyclin-dependent kinases, antitumor agents; chemical intermediate synthesis BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-12-12 — — US disclosed
US-20050176719-A1 Novel pyrazinone derivatives MSD K.K. (JP) 2005-08-11 — — US disclosed
US-6914062-B2 Pyrazinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-07-05 — — US disclosed
EP-1295878-B1 PYRAZINONE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-15 — — EP disclosed
US-20030203907-A1 An enzyme inhibitors of cyclin-dependent kinases, antitumor agents; chemical intermediate synthesis MSD K.K. (JP) 2003-10-30 — — US disclosed
EP-1295878-A1 NOVEL PYRAZINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 — — 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 (2 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-20030203907-A1 An enzyme inhibitors of cyclin-dependent kinases, antitumor agents; chemical intermediate synthesis CDK4, CDK6, CCNI CDK4 1/4885CDK1 5/4885CDK2 4/4885
US-20050176719-A1 Novel pyrazinone derivatives CDK6, CDK4, CDK16 CDK4 2/4885CDK1 4/4885CDK2 6/4885

“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.

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