SCHEMBL2713601

SCHEMBL2713601

C[Si](C)(C)C#Cc1ccc2nccn2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.44
▸ KEAP1 Q14145 1/20 0.44
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TGFBR1 P36897 6/20 0.36
▸ PDE4A P27815 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ MERTK Q12866 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ TGFBR2 P37173 1/20 0.33
▸ AXL P30530 1/20 0.33
▸ FLT3 P36888 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
SCHEMBL25251508 0.77 OGA (0.39) DYRK1AKEAP1PIK3CG
SCHEMBL2714523 0.75 DYRK1A (0.49) DYRK1AKEAP1MEN1CYP1A2KMT2A
SCHEMBL1693594 0.75 DYRK1A (0.49) DYRK1AKEAP1MEN1CYP1A2KMT2A
SCHEMBL27993097 0.73 ADORA3 (0.42) —
SCHEMBL6315893 0.70 DYRK1A (0.40) DYRK1ATGFBR1
SCHEMBL26790836 0.70 TGFBR1 (0.33) DYRK1AKEAP1TGFBR1PDE4APDE3A
SCHEMBL87222 0.69 DYRK1A (0.53) DYRK1AKEAP1MEN1CYP1A2KMT2A
SCHEMBL1306384 0.69 GABRA1 (0.38) MEN1CYP1A2KMT2ACYP3A4HPGD
SCHEMBL1733645 0.68 PTGS1 (0.48) MEN1KMT2AHPGDNFKB1
SCHEMBL2069886 0.67 GABRA1 (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2565185-A1 [5,6]HETEROCYCLIC COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-03-06 — — EP disclosed
US-20130029964-A1 [5, 6] HETEROCYCLIC COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-31 — — US disclosed
US-20130029964-A1 [5, 6] HETEROCYCLIC COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-31 — — US disclosed
WO-2012052451-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-04-26 — — WO 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-20130029964-A1 [5, 6] HETEROCYCLIC COMPOUND BMP2, BMP4, SOST DYRK1A 4357/4885KEAP1 1171/4885MEN1 2074/4885

“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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