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Sugi Predict / Compounds / SCHEMBL10141778

SCHEMBL10141778

SCHEMBL10141778

CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4ccccc4C(N)=O)c3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 14/20 0.48
▸ ATM Q13315 6/20 0.48
▸ PRKDC P78527 3/20 0.48
▸ MAPK1 P28482 5/20 0.44
▸ GSK3B P49841 3/20 0.43
▸ PARP1 P09874 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
SCHEMBL10141780 0.89 ATR (0.44) ATRATMPRKDCMAPK1GSK3B
SCHEMBL9985630 0.86 MAPK1 (0.47) ATRATMPRKDCMAPK1GSK3B
SCHEMBL9986182 0.84 MAPK1 (0.54) ATRATMPRKDCMAPK1GSK3B
SCHEMBL10141768 0.83 MAPK1 (0.45) ATRATMPRKDCMAPK1GSK3B
SCHEMBL9985558 0.82 MAPK1 (0.46) ATRATMPRKDCMAPK1GSK3B
SCHEMBL667006 0.82 MAPK1 (0.42) ATRATMPRKDCMAPK1GSK3B
SCHEMBL9986012 0.81 MAPK1 (0.65) ATRATMPRKDCMAPK1GSK3B
SCHEMBL667742 0.81 MAPK1 (0.70) ATRATMPRKDCMAPK1GSK3B
SCHEMBL667688 0.80 MAPK1 (0.48) ATRATMPRKDCMAPK1GSK3B
SCHEMBL10141777 0.80 MAPK1 (0.42) ATRATMPRKDCMAPK1GSK3B

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 ATR 1/4885ATM 50/4885PRKDC 19/4885
US-20120046295-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885ATM 50/4885PRKDC 19/4885
US-20160009723-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885ATM 50/4885PRKDC 19/4885

“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.