SCHEMBL21701323

SCHEMBL21701323

CS(C)(C)CCOCn1cc(C(O)C2CC2)c2c(Cl)ncnc21

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 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
SCHEMBL21678390 0.87 ADK (0.32) ADK
SCHEMBL21678550 0.83 ADK (0.33) ADK
SCHEMBL21678577 0.83 ADK (0.33) ADK
SCHEMBL21701336 0.78 ADK (0.31) ADK
SCHEMBL20443905 0.78 ADK (0.37) ADK
SCHEMBL19718904 0.77 ADK (0.39) ADK
SCHEMBL21678387 0.75 DGAT1 (0.32) ADK
SCHEMBL18595081 0.74 NSD2 (0.32) ADK
SCHEMBL24453856 0.73 SRC (0.51) ADK
SCHEMBL21678478 0.71 DGAT1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820775-B2 Pyrrolopyrimidine ITK inhibitors ACLARIS THERAPEUTICS, INC. (US) 2023-11-21 — — US disclosed
US-11021482-B2 Pyrrolopyrimidine ITK inhibitors Adaris Therapeutics, Inc. (US) 2021-06-01 — — US disclosed
US-20200048262-A1 PYRROLOPYRIMIDINE ITK INHIBITORS ACLARIS THERAPEUTICS, INC. 2020-02-13 — — 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 (3 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-20200048262-A1 PYRROLOPYRIMIDINE ITK INHIBITORS ITK, PDXK, DMPK ADK 163/4885
US-11021482-B2 Pyrrolopyrimidine ITK inhibitors ITK, PDXK, DMPK ADK 163/4885
US-11820775-B2 Pyrrolopyrimidine ITK inhibitors ITK, PDXK, DMPK ADK 163/4885

“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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