SCHEMBL31710539

SCHEMBL31710539

C[Si](C)(C)CCOCn1c(Br)c(-c2cccnc2C#N)c2cccnc21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.36
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ METAP2 P50579 2/20 0.32
▸ ELANE P08246 2/20 0.31
▸ PRMT5 O14744 1/20 0.31
▸ WDR77 Q9BQA1 1/20 0.31
▸ ALOX15 P16050 1/20 0.30
▸ CYP11B1 P15538 1/20 0.30
▸ PTGDR2 Q9Y5Y4 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL31710910 0.89 NPC1 (0.37) NPC1CCNA2CDK2ELANE
SCHEMBL31710681 0.88 NPC1 (0.33) NPC1ELANE
SCHEMBL31710430 0.83 NPC1 (0.35) NPC1ELANEPTGDR2MAPT
SCHEMBL31710694 0.79 DYRK1A (0.35) NPC1CCNA2CDK2METAP2ELANE
SCHEMBL31710412 0.74 NPC1 (0.33) NPC1
SCHEMBL31710605 0.74 NPC1 (0.33) NPC1
SCHEMBL30405532 0.74 NPC1 (0.37) NPC1ELANEPTGDR2MAPT
SCHEMBL31710508 0.74 NPC1 (0.35) NPC1
SCHEMBL2158077 0.73 NPC1 (0.35) NPC1METAP2ELANEMAPT
SCHEMBL1428087 0.71 NPC1 (0.41) NPC1ELANEPTGDR2MAPT

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 NPC1 54/4885CCNA2 4560/4885CDK2 4182/4885
US-20250326773-A1 MRGPRX2 ANTAGONISTS, PHARMACEUTICAL COMPOSITION INCLUDING MRGPRX2 ANTAGONIST, AND METHOD OF TREATING MRGPRX2-MEDIATED DISEASE OR DISORDER MRGPRX2, MRGPRX1, MRGPRX4 NPC1 54/4885CCNA2 4560/4885CDK2 4182/4885

“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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