SCHEMBL3461372

SCHEMBL3461372

NNC(=O)c1nc(-c2ccccc2)cnc1N

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 0.74
PRKDC P78527 6/20 0.74
ATM Q13315 2/20 0.64
CYP3A4 P08684 1/20 0.62

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
SCHEMBL3461111 0.88 ATR (0.74) ATRPRKDCATMCYP3A4
SCHEMBL2484993 0.87 ATR (0.73) ATRCYP3A4
SCHEMBL2480842 0.85 ATR (1.00) ATRPRKDCATMCYP3A4
SCHEMBL30667685 0.85 ATR (1.00) ATRPRKDCATMCYP3A4
SCHEMBL3593544 0.85 ATR (0.63) ATRPRKDCATMCYP3A4
SCHEMBL6711860 0.85 ATR (0.66) ATRPRKDCATMCYP3A4
SCHEMBL3461075 0.85 ATR (0.66) ATRPRKDCATMCYP3A4
SCHEMBL318797 0.84 ATR (0.68) ATRPRKDCATMCYP3A4
SCHEMBL24248259 0.83 ATR (0.67) ATRPRKDCATMCYP3A4
SCHEMBL3462067 0.83 ATR (0.63) ATRPRKDCATMCYP3A4

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP claimed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US claimed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US claimed
US-20230030414-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2023-02-02 US disclosed
EP-4059932-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2022-09-21 EP disclosed
EP-3354650-B1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2022-02-16 EP disclosed
US-11179394-B2 Method for treating cancer using a combination of Chk1 and ATR inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-11-23 US disclosed
US-11110086-B2 Compounds useful as inhibitors of ATR kinase and combination therapies thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-09-07 US disclosed
US-10961232-B2 Substituted pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-03-30 US disclosed
US-20200222392-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE AND COMBINATION THERAPIES THEREOF VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2020-07-16 US disclosed
US-10479784-B2 Substituted pyrazin-2-amines as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-11-19 US disclosed
US-8841308-B2 Pyrazin-2-amines useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-23 US disclosed
US-20140044802-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE AND COMBINATION THERAPIES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-13 US disclosed
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP disclosed
US-20100222318-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-02 US disclosed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
EP-1501514-A4 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-08-26 EP disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US disclosed
EP-1501514-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2005-02-02 EP disclosed
WO-2003093297-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2003-11-13 WO 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 (9 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-20200222392-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE AND COMBINATION THERAPIES THEREOF ATR, CHEK1, CHEK2 ATR 1/4885PRKDC 13/4885ATM 14/4885
US-11110086-B2 Compounds useful as inhibitors of ATR kinase and combination therapies thereof ATR, CHEK1, CHEK2 ATR 1/4885PRKDC 20/4885ATM 16/4885
US-10961232-B2 Substituted pyrazines as ATR kinase inhibitors ATR, MAP3K5, CHEK1 ATR 1/4885PRKDC 29/4885ATM 41/4885
US-20100222318-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885PRKDC 23/4885ATM 39/4885
US-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 ATR 556/4885PRKDC 124/4885ATM 398/4885
US-11179394-B2 Method for treating cancer using a combination of Chk1 and ATR inhibitors CHEK1, CHEK2, ATR ATR 3/4885PRKDC 73/4885ATM 7/4885
US-20230030414-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885PRKDC 23/4885ATM 39/4885
US-20140044802-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE AND COMBINATION THERAPIES THEREOF ATR, CHEK1, CHEK2 ATR 1/4885PRKDC 20/4885ATM 16/4885
US-10479784-B2 Substituted pyrazin-2-amines as inhibitors of ATR kinase ATR, CHEK2, CHEK1 ATR 1/4885PRKDC 31/4885ATM 28/4885

“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.