SCHEMBL26199500

SCHEMBL26199500

Cc1cncc(-n2nc(C)c(-c3cc(N4CCOC[C@H]4C)nc4c(-c5ccnn5C5CCCCO5)cnn34)c2C)c1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 0.49
ATRIP Q8WXE1 1/20 0.47

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
SCHEMBL25160000 0.93 ATR (0.50) ATR
SCHEMBL26199499 0.93 ATR (0.48) ATR
SCHEMBL26199477 0.90 ATR (0.49) ATRATRIP
SCHEMBL25160419 0.88 ATR (0.50) ATR
SCHEMBL25160441 0.84 ATR (0.50) ATR
SCHEMBL25160407 0.84 ATR (0.47) ATR
SCHEMBL25258131 0.84 ATR (0.59) ATR
SCHEMBL25160418 0.83 ATR (0.47) ATRATRIP
SCHEMBL25160415 0.83 ATR (0.47) ATRATRIP
SCHEMBL25160408 0.82 ATR (0.53) 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-20230271968-A1 PYRAZOLOPYRIMIDINE COMPOUND USED AS ATR KINASE INHIBITOR BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2023-08-31 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-20230271968-A1 PYRAZOLOPYRIMIDINE COMPOUND USED AS ATR KINASE INHIBITOR ATR, CHEK1, CHEK2 ATR 1/4885ATRIP 4/4885

“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.