SCHEMBL2484717

SCHEMBL2484717

Nc1ncc(-c2ccccc2)nc1-c1nc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATR Q13535 18/20 1.00
PRKDC P78527 1/20 0.72
ATM Q13315 1/20 0.72
PDPK1 O15530 1/20 0.60
CDK1 P06493 1/20 0.60
CDK2 P24941 1/20 0.60
MKNK1 Q9BUB5 1/20 0.60
MKNK2 Q9HBH9 1/20 0.60
EGFR P00533 1/20 0.58

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
SCHEMBL3977244 0.90 ATR (0.81) ATRPRKDCATM
SCHEMBL3054972 0.89 ATR (1.00) ATRPRKDCATM
SCHEMBL13138778 0.88 ATR (0.78) ATRPRKDCATM
SCHEMBL4009915 0.87 ATR (0.77) ATRPRKDCATMEGFR
SCHEMBL2513432 0.86 ATR (1.00) ATRPRKDCATM
SCHEMBL2509897 0.86 ATR (1.00) ATRPRKDCATMPDPK1CDK1
SCHEMBL3979058 0.86 ATR (0.76) ATRPRKDCATMPDPK1CDK1
SCHEMBL3469604 0.86 ATR (0.76) ATRPRKDCATMPDPK1CDK1
SCHEMBL4006257 0.86 ATR (0.74) ATRPRKDCATMCDK1CDK2
SCHEMBL13138782 0.85 ATR (0.77) ATRPRKDCATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230030414-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2023-02-02 US disclosed
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-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
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-10961232-B2 Substituted pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-03-30 US disclosed
US-20150031661-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-01-29 US disclosed
US-8841308-B2 Pyrazin-2-amines useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-23 US disclosed
US-8841308-B2 Pyrazin-2-amines useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-23 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-2376485-A1 PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2011-10-19 EP 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
US-20100222318-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-02 US disclosed
WO-2010071837-A1 PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 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 (7 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-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-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-20150031661-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885PRKDC 23/4885ATM 39/4885
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

“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.