SCHEMBL26009608

SCHEMBL26009608

C[C@@H]1COCCN1c1nc2c(-c3ccnn3C3CCCCO3)nccc2c2c1ccn2S(C)(=O)=O

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 20/20 0.68

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
SCHEMBL26009600 0.82 ATR (0.58) ATR
SCHEMBL27050959 0.82 ATR (0.67) ATR
SCHEMBL17501293 0.81 ATR (1.00) ATR
SCHEMBL20081975 0.81 ATR (1.00) ATR
SCHEMBL18109994 0.80 ATR (0.72) ATR
SCHEMBL18109995 0.80 ATR (0.72) ATR
SCHEMBL23837712 0.79 ATR (1.00) ATR
SCHEMBL17501026 0.79 ATR (1.00) ATR
SCHEMBL20081897 0.79 ATR (1.00) ATR
SCHEMBL27050848 0.79 ATR (0.53) ATR

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-20240025899-A1 TRIHETEROCYCLIC DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2024-01-25 — — US disclosed
US-20240025899-A1 TRIHETEROCYCLIC DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2024-01-25 — — US disclosed
EP-4230628-A1 TRIHETEROCYCLIC DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Shanghai de Novo Pharmatech Co., Ltd. (CN) 2023-08-23 — — EP 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-20240025899-A1 TRIHETEROCYCLIC DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ATR, ATRIP, CHEK2 ATR 1/4885

“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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