SCHEMBL17032789

SCHEMBL17032789

CNCc1ccc(-c2nnc(-c3cncc(-c4ccc(S(=O)(=O)C5CCOC5)cc4)c3)o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 17/20 0.48
▸ ATR Q13535 1/20 0.43
▸ AKT1 P31749 1/20 0.39
▸ PIK3CA P42336 1/20 0.39

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
SCHEMBL18177405 0.87 ATR (0.47) NAMPTATR
SCHEMBL10277222 0.86 ATR (0.48) NAMPTATR
SCHEMBL17034569 0.86 ATR (0.48) NAMPTATR
SCHEMBL16420718 0.81 NAMPT (0.45) NAMPTATR
SCHEMBL16070038 0.80 ATR (0.65) ATRPIK3CA
SCHEMBL10310876 0.80 ATR (0.41) ATR
SCHEMBL16420677 0.79 ATR (0.42) NAMPTATRPIK3CA
SCHEMBL18177420 0.79 ATR (0.43) NAMPTATR
SCHEMBL10310874 0.78 ATR (0.47) ATRPIK3CA
SCHEMBL16070009 0.74 ATR (0.63) ATRPIK3CA

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-20150239874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2015-08-27 — — 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-20150239874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K20 NAMPT 1671/4885ATR 1/4885AKT1 116/4885

“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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