SCHEMBL21361812

SCHEMBL21361812

COc1cc(B2OC(C)(C)C(C)(C)O2)c2ccn(SI)c2n1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.31

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
SCHEMBL20443236 0.84 IRAK4 (0.31)
SCHEMBL20443037 0.79
SCHEMBL20759578 0.76
SCHEMBL20930355 0.74 ABL1 (0.35)
SCHEMBL24843677 0.74 PDE2A (0.35)
SCHEMBL21361794 0.74 GSK3B (0.33)
SCHEMBL21354067 0.73 L3MBTL1 (0.41)
SCHEMBL16156519 0.70 LPL (0.41) SNCA
SCHEMBL20651743 0.69
SCHEMBL22759057 0.69 EGFR (0.35) SNCA

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-3765008-B1 HETEROCYCLIC INHIBITORS OF ATR KINASE UNIV TEXAS (US) 2023-06-07 EP disclosed
US-10894052-B2 Heterocyclic inhibitors of ATR kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-01-19 US disclosed
US-20190282584-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE ARTIOS PHARMA LIMITED (GB) 2019-09-19 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-10894052-B2 Heterocyclic inhibitors of ATR kinase ATR, CHEK1, CHEK2 SNCA 3515/4885
US-20190282584-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 SNCA 3515/4885

“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.