SCHEMBL31617954

SCHEMBL31617954

CC1(C)O[C@@H]2[C@@H](CO)C[C@@H](n3cc(-c4nccs4)c4c(N)nc(Cl)nc43)[C@@H]2O1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ ADORA2A P29274 1/20 0.33
▸ PNP P00491 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL25047583 0.87 ADK (0.33) ADK
SCHEMBL30941245 0.85 ADK (0.35) ADK
SCHEMBL25048597 0.85 ADK (0.35) ADK
SCHEMBL30941177 0.85 ADK (0.33) ADK
SCHEMBL30941142 0.84 SRC (0.38) ADK
SCHEMBL25048631 0.81 ADORA2A (0.35) ADKADORA2APNPLMNATP53
SCHEMBL31617860 0.81 ADORA2A (0.35) ADKADORA2APNPLMNATP53
SCHEMBL25047624 0.78 ADK (0.44) ADKIRAK4ADORA2APNPLMNA
SCHEMBL30941397 0.78 GPR119 (0.37) ADK
Hydrochloric Acid SCHEMBL30940819 0.77 ADK (0.43) ADKIRAK4ADORA2APNPLMNA

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-20250188110-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2025-06-12 — — 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-20250188110-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION KMT5A, KMT5B, KMT5C ADK 1700/4885IRAK4 896/4885ADORA2A 3532/4885

“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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