SCHEMBL24024152

SCHEMBL24024152

COC(=O)c1cc(N2CCOC[C@H]2C)nc2cnn(COCCS(C)(C)C)c12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATR Q13535 6/20 0.40
MTOR P42345 8/20 0.38
PIK3CA P42336 8/20 0.38
PIK3CD O00329 5/20 0.38
ATRIP Q8WXE1 4/20 0.36
BRD4 O60885 1/20 0.36
CHEK1 O14757 2/20 0.35
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35

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
SCHEMBL24024154 0.90 ATR (0.45) ATRMTORPIK3CAPIK3CDATRIP
SCHEMBL24024155 0.86 ATR (0.40) ATRMTORPIK3CAPIK3CDATRIP
SCHEMBL24024160 0.85 ATR (0.38) ATRMTORPIK3CAPIK3CDATRIP
SCHEMBL24024138 0.84 ATR (0.41) ATRMTORPIK3CAPIK3CDATRIP
SCHEMBL29738249 0.80 MTOR (0.48) ATRMTORPIK3CAATRIPBRD4
SCHEMBL23408532 0.80 MTOR (0.48) ATRMTORPIK3CAATRIPBRD4
SCHEMBL24024124 0.80 ATR (0.37) ATRMTORPIK3CAPIK3CDATRIP
SCHEMBL24024163 0.78 ATR (0.45) ATRMTORATRIPBRD4CHEK1
SCHEMBL19195025 0.78 ATR (0.63) ATRATRIP
SCHEMBL25700448 0.78 ATR (0.39) ATRMTORPIK3CAPIK3CDATRIP

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-20210355123-A1 5-Morpholin-4-yl-pyrazolo[4,3-b]pyridine derivatives MERCK PATENT GMBH (DE) 2021-11-18 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-20210355123-A1 5-Morpholin-4-yl-pyrazolo[4,3-b]pyridine derivatives ATR, CDK1, CDKN1A ATR 1/4885MTOR 500/4885PIK3CA 775/4885

“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.