SCHEMBL13137803

SCHEMBL13137803

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

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 16/20 0.45
▸ ACVR1 Q04771 4/20 0.38
▸ ATM Q13315 6/20 0.35
▸ PRKDC P78527 6/20 0.34

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
SCHEMBL13137806 0.93 ATR (0.45) ATRACVR1ATMPRKDC
SCHEMBL13137808 0.90 ACVR1 (0.42) ATRACVR1ATMPRKDC
SCHEMBL17826570 0.85 ATR (0.54) ATRATMPRKDC
SCHEMBL16489013 0.85 ATR (0.33) ATR
SCHEMBL13138162 0.79 ATR (0.61) ATRACVR1ATMPRKDC
SCHEMBL16491601 0.79 ATR (0.59) ATRACVR1ATMPRKDC
SCHEMBL13138349 0.79 ATR (0.60) ATRACVR1ATMPRKDC
SCHEMBL21572084 0.79 ATR (0.54) ATRATMPRKDC
SCHEMBL16489014 0.78 ATR (0.33) ATR
SCHEMBL21572085 0.78 ATR (0.62) ATRACVR1ATMPRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190047995-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2019-02-14 — — US disclosed
US-9701674-B2 Substituted pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-11 — — US disclosed
US-20150051187-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2015-02-19 — — US disclosed
US-20100222318-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-02 — — US disclosed
US-20100222318-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-02 — — 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-20100222318-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885ACVR1 765/4885ATM 39/4885
US-20190047995-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885ACVR1 765/4885ATM 39/4885
US-20150051187-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885ACVR1 765/4885ATM 39/4885

“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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