SCHEMBL26615199

SCHEMBL26615199

COc1cnccc1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12.O=C1OCCN1c1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 20/20 0.77
▸ ATRIP Q8WXE1 20/20 0.77

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
SCHEMBL30140478 0.88 ATR (1.00) ATRATRIP
SCHEMBL17527632 0.88 ATR (1.00) ATRATRIP
SCHEMBL17501168 0.81 ATR (1.00) ATRATRIP
SCHEMBL20081803 0.79 ATR (1.00) ATRATRIP
SCHEMBL17501120 0.79 ATR (1.00) ATRATRIP
SCHEMBL20081936 0.79 ATR (1.00) ATRATRIP
SCHEMBL17501287 0.79 ATR (1.00) ATRATRIP
SCHEMBL30140464 0.78 ATR (1.00) ATRATRIP
SCHEMBL18110049 0.78 ATR (1.00) ATRATRIP
SCHEMBL30140531 0.78 ATR (1.00) ATRATRIP

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-20230346927-A1 COMBINATION of ATR KINASE INHIBITORS and PD-1/PD-L1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-02 — — 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-20230346927-A1 COMBINATION of ATR KINASE INHIBITORS and PD-1/PD-L1 INHIBITORS ATR, PDCD1, CHEK1 ATR 1/4885ATRIP 7/4885

“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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