SCHEMBL5669170

SCHEMBL5669170

O=c1[nH]c2cccc(O)c2nc1-c1cccc2c(=O)n(C3CCC(O)CC3)sc12

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 13/20 0.63
▸ CDK1 P06493 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ CDK6 Q00534 2/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PARP1 P09874 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ MTOR P42345 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
SCHEMBL5667346 0.87 CDK4 (0.83) CDK4MEN1KMT2AKDM4E
SCHEMBL5669236 0.78 CDK4 (0.75) CDK4MEN1KMT2APARP1KDM4E
SCHEMBL5667036 0.77 CDK4 (1.00) CDK4MEN1KMT2AKDM4E
SCHEMBL5668012 0.77 CDK4 (0.62) CDK4MEN1KMT2APARP1
SCHEMBL13866131 0.76 CDK4 (0.59) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL5666982 0.75 CDK4 (0.47) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL5667973 0.72 CDK4 (0.50) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL13865880 0.71 CDK4 (0.70) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL13866006 0.68 CDK4 (0.51) CDK4CDK1CDK2CDK6GSK3B
SCHEMBL13865907 0.66 CDK4 (0.68) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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