SCHEMBL31710700

SCHEMBL31710700

Cc1ccnc(-c2cn(C(=O)OC(C)(C)C)c3ncccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 19/20 0.51
▸ CCNB2 O95067 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CCNB1 P14635 1/20 0.41
▸ CCNB3 Q8WWL7 1/20 0.41

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
SCHEMBL27153842 0.82 CCNB2 (0.46) ELANECCNB2CDK1CCNB1CCNB3
SCHEMBL30847419 0.82 CCNB2 (0.46) ELANECCNB2CDK1CCNB1CCNB3
SCHEMBL31219308 0.80 ELANE (0.47) ELANE
SCHEMBL13425915 0.80 ELANE (0.47) ELANE
SCHEMBL29361290 0.80 PIM1 (0.39) ELANECCNB2CDK1CCNB1CCNB3
SCHEMBL23163135 0.79 CDK1 (0.43) ELANECCNB2CDK1CCNB1CCNB3
SCHEMBL3707206 0.77 ELANE (0.44) ELANE
SCHEMBL29443982 0.77 ELANE (0.44) ELANE
SCHEMBL31710489 0.76 ELANE (0.41) ELANE
SCHEMBL295518 0.76 ELANE (0.55) ELANE

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 1 patent. 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

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-20250326773-A1 MRGPRX2 ANTAGONISTS, PHARMACEUTICAL COMPOSITION INCLUDING MRGPRX2 ANTAGONIST, AND METHOD OF TREATING MRGPRX2-MEDIATED DISEASE OR DISORDER MRGPRX2, MRGPRX1, MRGPRX4 ELANE 934/4885CCNB2 4212/4885CDK1 4825/4885

“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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