SCHEMBL5668012

SCHEMBL5668012

O=c1[nH]c2cc(C3CCNC3)ccc2nc1-c1cccc2c(=O)n(C3CCC(O)CC3)sc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 9/20 0.62
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PARP1 P09874 1/20 0.32
▸ RAF1 P04049 1/20 0.31
▸ BRAF P15056 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ DYRK3 O43781 1/20 0.31
▸ PRKD3 O94806 1/20 0.31
▸ MAP4K4 O95819 1/20 0.31
▸ INSR P06213 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ CLK2 P49760 1/20 0.31
▸ IRAK1 P51617 1/20 0.31
▸ PRKCD Q05655 1/20 0.31
▸ MAP4K2 Q12851 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ MELK Q14680 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
SCHEMBL5667346 0.84 CDK4 (0.83) CDK4MEN1KMT2ANPC1RAB9A
SCHEMBL5667036 0.77 CDK4 (1.00) CDK4MEN1KMT2ANPC1RAB9A
SCHEMBL5669170 0.77 CDK4 (0.63) CDK4MEN1KMT2APARP1
SCHEMBL5667816 0.73 CDK4 (0.68) CDK4PARP1RAF1BRAFNPC1
SCHEMBL5669220 0.72 CDK4 (0.60) CDK4
SCHEMBL5669236 0.70 CDK4 (0.75) CDK4MEN1KMT2APARP1NPC1
SCHEMBL5669217 0.67 CDK4 (0.60) CDK4MEN1KMT2A
SCHEMBL13866131 0.66 CDK4 (0.59) CDK4MEN1KMT2APARP1
SCHEMBL13866006 0.63 CDK4 (0.51) CDK4PARP1
SCHEMBL5667513 0.63 CDK4 (0.72) CDK4MEN1KMT2ANPC1RAB9A

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 1/4885MEN1 3495/4885KMT2A 672/4885
US-20050176719-A1 Novel pyrazinone derivatives CDK6, CDK4, CDK16 CDK4 2/4885MEN1 2552/4885KMT2A 550/4885

“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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