SCHEMBL21678472

SCHEMBL21678472

C[Si](C)(C)CCOCn1cc(C(=O)C2CC2)c2c(NC3CN(C(=O)O)C3)ncnc21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 2/20 0.41
▸ BTK Q06187 2/20 0.34
▸ PIK3CD O00329 9/20 0.33
▸ PIK3R1 P27986 9/20 0.33
▸ JAK3 P52333 3/20 0.33
▸ PIK3CA P42336 3/20 0.33
▸ ADORA1 P30542 2/20 0.32
▸ DGAT1 O75907 1/20 0.32
▸ KLKB1 P03952 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
SCHEMBL21678565 0.93 JAK3 (0.40) ADKPIK3CDPIK3R1JAK3PIK3CA
SCHEMBL21678568 0.93 JAK3 (0.40) ADKPIK3CDPIK3R1JAK3PIK3CA
SCHEMBL21678762 0.90 JAK3 (0.40) ADKJAK3
SCHEMBL21678758 0.90 JAK3 (0.40) ADKJAK3
SCHEMBL21678634 0.89 ADORA1 (0.42) ADKBTKPIK3CDPIK3CAADORA1
SCHEMBL21678453 0.85 PIK3CD (0.39) ADKPIK3CDPIK3R1JAK3PIK3CA
SCHEMBL21678516 0.85 JAK3 (0.38) ADKBTKPIK3CDPIK3R1JAK3
SCHEMBL21701261 0.84 ADORA1 (0.44) BTKPIK3CDJAK3PIK3CAADORA1
SCHEMBL21701263 0.82 ADORA1 (0.43) BTKPIK3CDJAK3PIK3CAADORA1
SCHEMBL16765068 0.80 JAK3 (0.41) ADKJAK3

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
EP-3833350-A1 PYRROLOPYRIMIDINE ITK INHIBITORS Aclaris Therapeutics, Inc. (US) 2021-06-16 — — EP disclosed
US-20200048262-A1 PYRROLOPYRIMIDINE ITK INHIBITORS ACLARIS THERAPEUTICS, INC. 2020-02-13 — — US disclosed
WO-2020033955-A1 PYRROLOPYRIMIDINE ITK INHIBITORS ACLARIS THERAPEUTICS, INC. (US) 2020-02-13 — — WO 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-20200048262-A1 PYRROLOPYRIMIDINE ITK INHIBITORS ITK, PDXK, DMPK ADK 163/4885BTK 558/4885PIK3CD 1068/4885

“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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