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SCHEMBL10310889

SCHEMBL10310889

CC(C)S(=O)(=O)c1ccc(-c2cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(-c3cc(-c4ccc(CBr)cc4)no3)c2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 12/20 0.41
▸ ATM Q13315 10/20 0.41
▸ PRKDC P78527 5/20 0.40
▸ GSK3B P49841 3/20 0.39
▸ MTOR P42345 2/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ KIT P10721 1/20 0.39
▸ SERPINA2 P20848 1/20 0.39
▸ PIK3R1 P27986 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ SYK P43405 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ MAP3K9 P80192 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ MERTK Q12866 1/20 0.39
▸ DYRK2 Q92630 1/20 0.39
▸ PIK3CD O00329 3/20 0.33

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
SCHEMBL2637076 0.96 ATR (0.39) ATRATMPRKDCGSK3BMTOR
SCHEMBL10276377 0.91 ATR (0.39) ATRATMPRKDCGSK3BMTOR
SCHEMBL12184745 0.90 ATR (0.40) ATRATMPRKDCGSK3BMTOR
SCHEMBL2637444 0.87 ATR (0.39) ATRATMPRKDCGSK3BMTOR
SCHEMBL2486945 0.84 ATR (0.55) ATRATMPRKDCGSK3BMTOR
SCHEMBL2637032 0.84 ATM (0.35) ATRATMPRKDCGSK3BMTOR
SCHEMBL2641328 0.83 ATM (0.34) ATRATMPRKDCGSK3BMTOR
SCHEMBL12184077 0.81 ATM (0.34) ATRATMPRKDCGSK3BMTOR
SCHEMBL2486946 0.78 ATR (0.52) ATRATMPRKDCGSK3BMTOR
SCHEMBL10276810 0.77 ATR (0.51) ATRATMPRKDCGSK3BMTOR

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 8 patents. 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
US-20150239874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2015-08-27 — — US disclosed
US-9096584-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-08-04 — — US disclosed
US-9096584-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-08-04 — — US disclosed
EP-2569284-B1 2-AMINOPYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2015-07-08 — — EP disclosed
US-20120177748-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 — — US disclosed
US-20120177748-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 — — US disclosed
WO-2011143422-A1 2 -AMINOPYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 — — WO 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-20150239874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K20 ATR 1/4885ATM 35/4885PRKDC 31/4885
US-20120177748-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K20 ATR 1/4885ATM 35/4885PRKDC 31/4885

“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.