Sugi Predict

Sugi Predict / Compounds / SCHEMBL14575666

SCHEMBL14575666

SCHEMBL14575666

CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N[C@H](C)c4ccccc4)c3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 3/20 0.49
▸ PRKDC P78527 2/20 0.49
▸ ATM Q13315 1/20 0.49
▸ SYK P43405 2/20 0.49
▸ CYP2C9 P11712 1/20 0.48
▸ JAK3 P52333 7/20 0.48
▸ JAK2 O60674 6/20 0.48
▸ JAK1 P23458 6/20 0.48
▸ ADORA2A P29274 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ TACR3 P29371 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ KCNA5 P22460 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ LDHA P00338 2/20 0.42
▸ LDHB P07195 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 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
SCHEMBL14576258 1.00 ATR (0.49) ATRPRKDCATMSYKCYP2C9
SCHEMBL14575358 0.93 ATR (0.52) ATRPRKDCATMSYKCYP2C9
SCHEMBL16975961 0.92 SYK (0.48) ATRPRKDCATMSYKCYP2C9
SCHEMBL14575485 0.91 SYK (0.47) ATRPRKDCATMSYKCYP2C9
SCHEMBL14575659 0.90 ATR (0.49) ATRPRKDCATMSYKCYP2C9
SCHEMBL16975974 0.90 SYK (0.49) ATRPRKDCATMSYKCYP2C9
SCHEMBL16975970 0.90 SYK (0.49) ATRPRKDCATMSYKCYP2C9
SCHEMBL14575680 0.90 ATR (0.49) ATRPRKDCATMSYKCYP2C9
SCHEMBL14575516 0.89 SYK (0.52) ATRPRKDCATMSYKCYP2C9
SCHEMBL14576019 0.89 SYK (0.52) ATRPRKDCATMSYKCYP2C9

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 7 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-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-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

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 1/4885PRKDC 19/4885ATM 50/4885
US-20130017273-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885PRKDC 19/4885ATM 50/4885

“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.