SCHEMBL31710694

SCHEMBL31710694

C[Si](C)(C)CCOCn1cc(-c2cccnc2C#N)c2cccnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.35
▸ GSK3B P49841 6/20 0.35
▸ PRKCB P05771 4/20 0.35
▸ CCNB2 O95067 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ CCNB3 Q8WWL7 1/20 0.35
▸ ELANE P08246 5/20 0.34
▸ METAP2 P50579 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ EPHB4 P54760 1/20 0.34

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
SCHEMBL31710658 0.87 GSK3B (0.36) DYRK1AGSK3BPRKCBCCNB2CDK1
SCHEMBL29514362 0.84 ELANE (0.47) ELANE
SCHEMBL19260864 0.82 DGAT1 (0.34) DYRK1AGSK3BPRKCBCCNB2CDK1
SCHEMBL31710541 0.81 HTR6 (0.36) GSK3BELANE
SCHEMBL31710539 0.79 NPC1 (0.36) CCNA2CDK2ELANEMETAP2PRMT5
SCHEMBL31050029 0.78 DGAT1 (0.40) DYRK1AGSK3BPRKCBCCNB2CDK1
SCHEMBL19260892 0.78 DGAT1 (0.35) DYRK1AGSK3BELANEEGFRIGF1R
SCHEMBL29748840 0.77 DGAT1 (0.41) DYRK1AGSK3BPRKCBCCNB2CDK1
SCHEMBL21044790 0.77 DGAT1 (0.41) DYRK1AGSK3BPRKCBCCNB2CDK1
SCHEMBL31298152 0.76 KDR (0.37) DYRK1AGSK3BPRKCBCCNB2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250326773-A1 MRGPRX2 ANTAGONISTS, PHARMACEUTICAL COMPOSITION INCLUDING MRGPRX2 ANTAGONIST, AND METHOD OF TREATING MRGPRX2-MEDIATED DISEASE OR DISORDER KYORIN SEIYAKU KK (JP) 2025-10-23 — — US disclosed
US-20250326772-A1 MRGPRX2 ANTAGONISTS, PHARMACEUTICAL COMPOSITION INCLUDING MRGPRX2 ANTAGONIST, AND METHOD OF TREATING MRGPRX2-MEDIATED DISEASE OR DISORDER KYORIN SEIYAKU KK (JP) 2025-10-23 — — US 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-20250326772-A1 MRGPRX2 ANTAGONISTS, PHARMACEUTICAL COMPOSITION INCLUDING MRGPRX2 ANTAGONIST, AND METHOD OF TREATING MRGPRX2-MEDIATED DISEASE OR DISORDER MRGPRX2, MRGPRX1, MRGPRX4 DYRK1A 3635/4885GSK3B 3367/4885PRKCB 2228/4885
US-20250326773-A1 MRGPRX2 ANTAGONISTS, PHARMACEUTICAL COMPOSITION INCLUDING MRGPRX2 ANTAGONIST, AND METHOD OF TREATING MRGPRX2-MEDIATED DISEASE OR DISORDER MRGPRX2, MRGPRX1, MRGPRX4 DYRK1A 3635/4885GSK3B 3367/4885PRKCB 2228/4885

“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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