SCHEMBL14575733

SCHEMBL14575733

CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N4CCCCC4)c3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATR Q13535 9/20 0.47
JAK3 P52333 6/20 0.46
JAK2 O60674 4/20 0.46
JAK1 P23458 4/20 0.46
SYK P43405 3/20 0.42
CYP2C9 P11712 1/20 0.42
PRKDC P78527 1/20 0.41
ATM Q13315 1/20 0.41
HPGD P15428 1/20 0.40
KCNH2 Q12809 1/20 0.39

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
SCHEMBL14575683 0.92 ATR (0.45) ATRJAK3JAK2JAK1SYK
SCHEMBL14575236 0.92 ATR (0.58) ATRJAK3JAK2JAK1SYK
SCHEMBL14574938 0.91 ATR (0.43) ATRJAK3JAK2JAK1SYK
SCHEMBL14575093 0.91 ATR (0.53) ATRJAK3JAK2JAK1SYK
SCHEMBL14616613 0.91 ATR (0.44) ATRJAK3JAK2JAK1SYK
SCHEMBL16975964 0.89 ATR (0.48) ATRJAK3JAK2JAK1SYK
SCHEMBL14616593 0.89 ATR (0.48) ATRJAK3JAK2JAK1SYK
SCHEMBL16975963 0.88 ATR (0.43) ATRJAK3JAK2JAK1SYK
SCHEMBL14575657 0.88 ATR (0.47) ATRJAK3JAK2JAK1SYK
SCHEMBL14576079 0.87 ATR (0.43) ATRJAK3JAK2JAK1SYK

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 9 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
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 1/4885JAK3 472/4885JAK2 281/4885
US-20130017273-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885JAK3 472/4885JAK2 281/4885

“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.