SCHEMBL318797

SCHEMBL318797

Nc1ncc(-c2ccccc2)nc1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATR Q13535 19/20 0.68
PRKDC P78527 5/20 0.68
ATM Q13315 2/20 0.58
CYP3A4 P08684 1/20 0.57
IKBKB O14920 1/20 0.54

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
SCHEMBL5684569 0.89 ATR (0.63) ATRPRKDCATMCYP3A4
SCHEMBL24248259 0.88 ATR (0.67) ATRPRKDCATMCYP3A4IKBKB
SCHEMBL2486385 0.87 ATR (0.70) ATRCYP3A4
SCHEMBL14525246 0.87 ATR (0.65) ATRPRKDCATMCYP3A4
SCHEMBL11908281 0.87 ATR (0.67) ATRPRKDCATM
SCHEMBL11908296 0.87 ATR (0.67) ATRPRKDCATMCYP3A4
SCHEMBL319167 0.86 ASIC3 (0.57) ATRPRKDCATMCYP3A4IKBKB
SCHEMBL11906967 0.85 ATR (0.67) ATRPRKDCATM
SCHEMBL23703073 0.85 ATR (0.67) ATRPRKDCATM
SCHEMBL3462610 0.85 ATR (0.63) ATRPRKDCATMCYP3A4IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199123-B2 Pyrazine compounds as transforming growth factor (TGF) compounds PFIZER INC. (US) 2007-04-03 US claimed
EP-1606267-A1 PYRAZINE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS Pfizer Products Inc. (US) 2005-12-21 EP claimed
WO-2004080982-A1 PYRAZINE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER PRODUCTS INC. (US) 2004-09-23 WO claimed
US-20040180905-A1 for treating cancer and fibrotic diseases PFIZER INC 2004-09-16 US claimed
US-12195490-B2 STRAD-binding agents and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-01-14 US disclosed
CN-115916966-A STRAD binding agents and uses thereof 加利福尼亚大学董事会 2023-04-04 CN disclosed
US-20230030414-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2023-02-02 US disclosed
EP-4097223-A1 STRAD-BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-07 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
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-7199123-B2 Pyrazine compounds as transforming growth factor (TGF) compounds PFIZER INC. (US) 2007-04-03 US disclosed
US-7199123-B2 Pyrazine compounds as transforming growth factor (TGF) compounds PFIZER INC. (US) 2007-04-03 US disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 US disclosed
EP-1606267-A1 PYRAZINE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS Pfizer Products Inc. (US) 2005-12-21 EP disclosed
EP-1501514-A2 PROTEIN KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2005-02-02 EP disclosed
WO-2004080982-A1 PYRAZINE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER PRODUCTS INC. (US) 2004-09-23 WO disclosed
US-20040180905-A1 for treating cancer and fibrotic diseases PFIZER INC 2004-09-16 US 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 (6 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-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-20040180905-A1 for treating cancer and fibrotic diseases SMAD3, SMAD2, TGFBR2 ATR 975/4885PRKDC 2821/4885ATM 552/4885
US-20230030414-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 ATR 1/4885PRKDC 23/4885ATM 39/4885
US-12195490-B2 STRAD-binding agents and uses thereof STRAP, STRA6, PLAUR ATR 3836/4885PRKDC 467/4885ATM 2098/4885

“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.