SCHEMBL16420792

SCHEMBL16420792

COC1CN(C(=O)c2cccc(-c3cncc(C(=O)Nc4ccccc4)n3)c2)C1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATR Q13535 13/20 0.70
SCN2A Q99250 5/20 0.46
SCN10A Q9Y5Y9 5/20 0.46
CNR2 P34972 1/20 0.43
TTK P33981 1/20 0.42

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
SCHEMBL16420767 0.90 ATR (0.69) ATRSCN2ASCN10A
SCHEMBL19101118 0.87 ATR (0.54) ATRSCN2ASCN10ACNR2
SCHEMBL16420775 0.84 ATR (0.67) ATR
SCHEMBL19101120 0.84 ATR (0.57) ATRSCN2ASCN10A
SCHEMBL16420780 0.84 ATR (0.72) ATR
SCHEMBL16420777 0.83 ATR (0.69) ATRSCN2ASCN10A
SCHEMBL19101115 0.83 ATR (0.66) ATR
SCHEMBL19101090 0.83 ATR (0.57) ATRSCN2ASCN10A
SCHEMBL16420787 0.83 ATR (0.70) ATRSCN2ASCN10ACNR2
SCHEMBL2484278 0.83 ATR (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180170922-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2018-06-21 US disclosed
US-20160311809-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-10-27 US disclosed
US-20150051187-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2015-02-19 US disclosed
US-20150031661-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-01-29 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 (4 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-20150031661-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885SCN2A 2823/4885SCN10A 4295/4885
US-20180170922-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885SCN2A 2823/4885SCN10A 4295/4885
US-20160311809-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885SCN2A 2823/4885SCN10A 4295/4885
US-20150051187-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885SCN2A 2823/4885SCN10A 4295/4885

“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.