SCHEMBL5667513

SCHEMBL5667513

O=c1[nH]c2ccccc2nc1-c1ccnc2c(=O)n(C3CCCC3)sc12

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 6/20 0.72
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ RAB9A P51151 5/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ CASP1 P29466 2/20 0.41
▸ CASP7 P55210 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ STK33 Q9BYT3 4/20 0.41
▸ LMNA P02545 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA1 P30542 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
SCHEMBL5667036 0.84 CDK4 (1.00) CDK4MEN1KMT2ARAB9ANPC1
SCHEMBL5667346 0.75 CDK4 (0.83) CDK4MEN1KMT2ARAB9ANPC1
SCHEMBL5669236 0.74 CDK4 (0.75) CDK4MEN1KMT2ARAB9ANPC1
SCHEMBL5668920 0.68 CDK4 (0.64) CDK4MEN1KMT2ARAB9ANPC1
SCHEMBL5667127 0.68 CDK4 (1.00) CDK4MEN1KMT2ARAB9ANPC1
SCHEMBL5669170 0.64 CDK4 (0.63) CDK4MEN1KMT2AKDM4E
SCHEMBL1898866 0.64 RAB9A (0.61) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL30637059 0.62 MEN1 (0.57) CDK4MEN1KMT2ARAB9ANPC1
SCHEMBL29101812 0.62 MEN1 (0.57) CDK4MEN1KMT2ARAB9ANPC1
SCHEMBL1902587 0.61 MEN1 (1.00) CDK4MEN1KMT2ARAB9ANPC1

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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