SCHEMBL23629232

SCHEMBL23629232

CC(C)n1ncc2nc(N3CCOC[C@H]3C)cc(OS(=O)(=O)C(F)(F)F)c21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATR Q13535 13/20 0.38
ATRIP Q8WXE1 12/20 0.38
CHEK1 O14757 11/20 0.38
PDCD1 Q15116 11/20 0.38
CD274 Q9NZQ7 11/20 0.38
PIK3CA P42336 3/20 0.37
PIK3CD O00329 1/20 0.37
PIK3C3 Q8NEB9 4/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
PIK3R1 P27986 1/20 0.36

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
SCHEMBL28584100 0.88 MTOR (0.42) ATRATRIPCHEK1PDCD1CD274
SCHEMBL23408531 0.88 MTOR (0.42) ATRATRIPCHEK1PDCD1CD274
SCHEMBL29738240 0.88 MTOR (0.42) ATRATRIPCHEK1PDCD1CD274
SCHEMBL23629214 0.81 ATR (0.43) ATRATRIPCHEK1PDCD1CD274
SCHEMBL24024124 0.80 ATR (0.37) ATRATRIPCHEK1PDCD1CD274
SCHEMBL28577382 0.79 ATR (0.43) ATRATRIPCHEK1PDCD1CD274
SCHEMBL28577379 0.79 ATR (0.43) ATRATRIPCHEK1PDCD1CD274
SCHEMBL24024162 0.78 PDE1A (0.31) PDE1APDE1BPDE1C
SCHEMBL28584788 0.75 ATR (0.47) ATRATRIPCHEK1PDCD1CD274
SCHEMBL28584789 0.75 ATR (0.47) ATRATRIPCHEK1PDCD1CD274

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210355123-A1 5-Morpholin-4-yl-pyrazolo[4,3-b]pyridine derivatives MERCK PATENT GMBH (DE) 2021-11-18 US disclosed
EP-3846904-A1 5-MORPHOLIN-4-YL-PYRAZOLO[4,3-B]PYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2021-07-14 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-20210355123-A1 5-Morpholin-4-yl-pyrazolo[4,3-b]pyridine derivatives ATR, CDK1, CDKN1A ATR 1/4885ATRIP 7/4885CHEK1 6/4885

“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.