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Sugi Predict / Compounds / SCHEMBL10141747

SCHEMBL10141747

SCHEMBL10141747

CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4cnc(N)cn4)c3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 6/20 0.52
▸ FEN1 P39748 2/20 0.46
▸ ATR Q13535 11/20 0.46
▸ ATM Q13315 7/20 0.46
▸ PRKDC P78527 5/20 0.46
▸ GSK3B P49841 4/20 0.45
▸ ALOX5AP P20292 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ KIT P10721 1/20 0.43
▸ SERPINA2 P20848 1/20 0.43
▸ PIK3R1 P27986 1/20 0.43
▸ FLT4 P35916 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ SYK P43405 1/20 0.43
▸ GSK3A P49840 1/20 0.43
▸ MAP3K9 P80192 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43

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
SCHEMBL9986012 0.90 MAPK1 (0.65) MAPK1ATRATMPRKDCGSK3B
SCHEMBL10141776 0.87 MAPK1 (0.52) MAPK1FEN1ATRATMPRKDC
SCHEMBL9986182 0.84 MAPK1 (0.54) MAPK1ATRATMPRKDCGSK3B
SCHEMBL10141749 0.83 MAPK1 (0.61) MAPK1ATRATMPRKDC
SCHEMBL10141903 0.83 MAPK1 (0.48) MAPK1ATRATMPRKDCGSK3B
SCHEMBL666484 0.83 MAPK1 (0.47) MAPK1ATRATMPRKDCGSK3B
SCHEMBL9985949 0.83 MAPK1 (0.67) MAPK1ATRATMPRKDCGSK3B
SCHEMBL9987066 0.83 MAPK1 (0.63) MAPK1ATRATMPRKDCGSK3B
SCHEMBL9985644 0.82 MAPK1 (0.47) MAPK1ATRATMPRKDCGSK3B
SCHEMBL666892 0.82 MAPK1 (0.51) MAPK1ATRATMPRKDCGSK3B

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-20160009723-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-01-14 — — US disclosed
US-20160009723-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-01-14 — — US disclosed
US-20140288347-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-25 — — US disclosed
US-20140288347-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-25 — — US disclosed
US-8623869-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-07 — — US disclosed
US-8623869-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-07 — — US disclosed
US-20120046295-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-23 — — US disclosed
US-20120046295-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-23 — — 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 (3 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-20140288347-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 MAPK1 122/4885FEN1 530/4885ATR 1/4885
US-20120046295-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 MAPK1 122/4885FEN1 530/4885ATR 1/4885
US-20160009723-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 MAPK1 122/4885FEN1 530/4885ATR 1/4885

“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.