SCHEMBL2369766

SCHEMBL2369766

CC1COCCN1c1cc(Cl)nc(Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 12/20 0.49
CD274 Q9NZQ7 12/20 0.49
CHEK1 O14757 11/20 0.49
ATR Q13535 10/20 0.49
ATRIP Q8WXE1 8/20 0.49
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
MTOR P42345 2/20 0.44
PDE4D Q08499 2/20 0.42
PIK3C3 Q8NEB9 1/20 0.42

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
SCHEMBL15805519 1.00 PDCD1 (0.49) PDCD1CD274CHEK1ATRATRIP
SCHEMBL2369761 1.00 PDCD1 (0.49) PDCD1CD274CHEK1ATRATRIP
SCHEMBL15805551 0.87 MTOR (0.52) PDCD1CD274CHEK1ATRATRIP
SCHEMBL20692991 0.87 MTOR (0.52) PDCD1CD274CHEK1ATRATRIP
SCHEMBL2513264 0.87 ATR (0.48) PDCD1CD274CHEK1ATRATRIP
SCHEMBL15805552 0.87 MTOR (0.52) PDCD1CD274CHEK1ATRATRIP
SCHEMBL15805547 0.87 MTOR (0.52) PDCD1CD274CHEK1ATRATRIP
SCHEMBL20797863 0.87 ATR (0.48) PDCD1CD274CHEK1ATRATRIP
SCHEMBL15805506 0.87 MTOR (0.52) PDCD1CD274CHEK1ATRATRIP
SCHEMBL9978858 0.86 ATR (0.46) PDCD1CD274CHEK1ATRATRIP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117466884-A Heterocyclic compounds or salts thereof as ATR kinase inhibitors, pharmaceutical compositions containing same and uses thereof 德州大学系统董事会 2024-01-30 CN disclosed
EP-3651768-B1 HETEROCYCLIC INHIBITORS OF ATR KINASE UNIV TEXAS (US) 2023-12-20 EP disclosed
CN-111867590-B Heterocyclic inhibitors of ATR kinase 德州大学系统董事会 2023-11-17 CN disclosed
EP-3668839-B1 HETEROCYCLIC INHIBITORS OF ATR KINASE UNIV TEXAS (US) 2023-04-12 EP disclosed
US-11434233-B2 Heterocyclic inhibitors of ATR kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-09-06 US disclosed
US-20210047311-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE ARTIOS PHARMA LIMITED (GB) 2021-02-18 US disclosed
WO-2020244613-A1 2, 4, 6-TRI-SUBSTITUTED PYRIMIDINE COMPOUND AS ATR KINASE INHIBITOR 北京泰德制药股份有限公司 2020-12-10 WO disclosed
CN-111886224-A Heterocyclic inhibitors of ATR kinase 德州大学系统董事会 2020-11-03 CN disclosed
CN-111867590-A Heterocyclic inhibitors of ATR kinase 德州大学系统董事会 2020-10-30 CN disclosed
US-10800774-B2 Heterocyclic inhibitors of ATR kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-10-13 US disclosed
WO-2019036641-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-02-21 WO disclosed
US-20190016713-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE ARTIOS PHARMA LIMITED (GB) 2019-01-17 US disclosed
WO-2019014618-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2019-01-17 WO disclosed
WO-2019014618-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2019-01-17 WO disclosed
US-9249129-B2 Morpholino substituted urea derivatives as mTOR inhibitors CELLZOME LIMITED (GB) 2016-02-02 US disclosed
EP-2542536-B1 Morpholino substituted urea derivatives as mtor inhibitors CELLZOME LTD (GB) 2015-01-21 EP disclosed
WO-2014090147-A1 PYRIMIDINE DERIVATIVES AND SALTS THEREOF, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2014-06-19 WO disclosed
US-20130196982-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2013-08-01 US disclosed
EP-2542536-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS Cellzome Limited (GB) 2013-01-09 EP disclosed
WO-2011107585-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2011-09-09 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 (5 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-10800774-B2 Heterocyclic inhibitors of ATR kinase ATR, CHEK1, CHEK2 PDCD1 1244/4885CD274 3110/4885CHEK1 2/4885
US-11434233-B2 Heterocyclic inhibitors of ATR kinase ATR, CHEK1, CHEK2 PDCD1 1284/4885CD274 3430/4885CHEK1 2/4885
US-20130196982-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS MTOR, EIF4E, EIF4A1 PDCD1 2737/4885CD274 4168/4885CHEK1 1638/4885
US-20190016713-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 PDCD1 1284/4885CD274 3430/4885CHEK1 2/4885
US-20210047311-A1 HETEROCYCLIC INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 PDCD1 1284/4885CD274 3430/4885CHEK1 2/4885

“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.