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Sugi Predict / Compounds / SCHEMBL14616613

SCHEMBL14616613

SCHEMBL14616613

CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N4CCOCC4)c3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 7/20 0.44
▸ ALOX5AP P20292 2/20 0.42
▸ FEN1 P39748 2/20 0.42
▸ PLAUR Q03405 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ MOK Q9UQ07 2/20 0.41
▸ PRKDC P78527 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ JAK3 P52333 3/20 0.40
▸ JAK2 O60674 2/20 0.40
▸ JAK1 P23458 2/20 0.40
▸ TYK2 P29597 2/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ SYK P43405 1/20 0.40
▸ NTRK1 P04629 1/20 0.40

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
SCHEMBL14575733 0.91 ATR (0.47) ATRPRKDCATMJAK3JAK2
SCHEMBL14574938 0.90 ATR (0.43) ATRPRKDCATMJAK3JAK2
SCHEMBL14575093 0.90 ATR (0.53) ATRCA12CA1PRKDCATM
SCHEMBL14576088 0.89 ALDH1A1 (0.43) ATR
SCHEMBL14575683 0.86 ATR (0.45) ATRPRKDCATMJAK3JAK2
SCHEMBL14575236 0.86 ATR (0.58) ATRCA12CA1PRKDCATM
SCHEMBL16975963 0.86 ATR (0.43) ATRJAK3JAK2JAK1SYK
SCHEMBL16975952 0.86 JAK3 (0.51) ATRPRKDCATMJAK3JAK2
SCHEMBL14576079 0.86 ATR (0.43) ATRJAK3JAK2JAK1SYK
SCHEMBL14575466 0.86 ATR (0.45) ATRJAK3JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150376187-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2015-12-31 — — US disclosed
US-20150376187-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2015-12-31 — — US disclosed
US-9096602-B2 Substituted pyrrolo[2,3-B]pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-08-04 — — US disclosed
US-9096602-B2 Substituted pyrrolo[2,3-B]pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-08-04 — — US disclosed
US-20130017273-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-17 — — US disclosed
US-20130017273-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-17 — — 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 (2 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-20150376187-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885ALOX5AP 3343/4885FEN1 530/4885
US-20130017273-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885ALOX5AP 3343/4885FEN1 530/4885

“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.