SCHEMBL20483555

SCHEMBL20483555

C1=C(c2cc(N3CCOCC3)nc3c(-c4cc[nH]n4)nccc23)CCOC1.CN=S(C)(=O)c1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cc1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 20/20 0.74
▸ ATRIP Q8WXE1 20/20 0.74
▸ KCNH2 Q12809 1/20 0.64

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
SCHEMBL17501348 0.86 ATR (1.00) ATRATRIPKCNH2
SCHEMBL17501046 0.82 ATR (0.70) ATRATRIP
SCHEMBL17501436 0.81 ATR (1.00) ATRATRIP
SCHEMBL17501133 0.80 ATR (0.71) ATRATRIPKCNH2
SCHEMBL23837793 0.79 ATR (0.85) ATRATRIPKCNH2
SCHEMBL17527599 0.79 ATR (1.00) ATRATRIPKCNH2
SCHEMBL18121323 0.78 ATR (1.00) ATRATRIPKCNH2
SCHEMBL20081862 0.78 ATR (0.86) ATRATRIPKCNH2
SCHEMBL17501506 0.78 ATR (0.78) ATRATRIP
SCHEMBL18121315 0.76 ATR (1.00) ATRATRIPKCNH2

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
WO-2018153973-A1 COMBINATION OF ATR KINASE INHIBITORS WITH PARP INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-08-30 — — WO claimed
US-20230346927-A1 COMBINATION of ATR KINASE INHIBITORS and PD-1/PD-L1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-02 — — US disclosed
WO-2018153973-A1 COMBINATION OF ATR KINASE INHIBITORS WITH PARP INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-08-30 — — 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-20230346927-A1 COMBINATION of ATR KINASE INHIBITORS and PD-1/PD-L1 INHIBITORS ATR, PDCD1, CHEK1 ATR 1/4885ATRIP 7/4885KCNH2 3255/4885

“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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