SCHEMBL17826570

SCHEMBL17826570

CCCNCc1ccc(C(=N)/C=C(\O)c2nc(-c3ccc(S(=O)(=O)C(C)C)cc3)cnc2N)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 20/20 0.54
▸ ATM Q13315 10/20 0.50
▸ PRKDC P78527 8/20 0.50
▸ JAK2 O60674 1/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ KIT P10721 1/20 0.46
▸ SERPINA2 P20848 1/20 0.46
▸ PIK3R1 P27986 1/20 0.46
▸ FLT4 P35916 1/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ PIK3CA P42336 1/20 0.46
▸ MTOR P42345 1/20 0.46
▸ SYK P43405 1/20 0.46
▸ GSK3A P49840 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ MAP3K9 P80192 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ MERTK Q12866 1/20 0.46
▸ DYRK2 Q92630 1/20 0.46

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
SCHEMBL21572084 0.93 ATR (0.54) ATRATMPRKDCJAK2ABL1
SCHEMBL21572086 0.90 ATR (0.54) ATRATMPRKDCJAK2ABL1
SCHEMBL19236408 0.90 ATR (0.67) ATRATMPRKDCJAK2ABL1
SCHEMBL13137803 0.85 ATR (0.45) ATRATMPRKDC
SCHEMBL17826094 0.85 ATR (0.42) ATRATMPRKDCJAK2ABL1
SCHEMBL18180865 0.79 ATR (0.61) ATRATMPRKDCJAK2ABL1
SCHEMBL18180864 0.79 ATR (0.59) ATRATMPRKDCJAK2ABL1
SCHEMBL13137806 0.79 ATR (0.45) ATRATMPRKDC
SCHEMBL21572085 0.78 ATR (0.62) ATRATMPRKDC
SCHEMBL18180948 0.78 ATR (0.60) ATRATMPRKDCJAK2ABL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10479784-B2 Substituted pyrazin-2-amines as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-11-19 — — US disclosed
US-9365557-B2 Substituted pyrazin-2-amines as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 — — 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 (1 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-10479784-B2 Substituted pyrazin-2-amines as inhibitors of ATR kinase ATR, CHEK2, CHEK1 ATR 1/4885ATM 28/4885PRKDC 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.

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