Sugi Predict

Sugi Predict / Compounds / SCHEMBL3859925

SCHEMBL3859925

SCHEMBL3859925

N#Cc1cnc(N)c(C(=O)O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 8/20 0.39
▸ PRKDC P78527 3/20 0.39
▸ ATM Q13315 1/20 0.39
▸ MAP4K4 O95819 2/20 0.38
▸ CLK4 Q9HAZ1 2/20 0.34
▸ CHEK1 O14757 2/20 0.34
▸ PDPK1 O15530 1/20 0.34
▸ DYRK3 O43781 1/20 0.34
▸ RET P07949 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ CSNK1D P48730 1/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ IRAK1 P51617 1/20 0.34
▸ NEK4 P51957 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.34
▸ CSNK1G2 P78368 1/20 0.34
▸ CAMK2D Q13557 1/20 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
SCHEMBL19743833 0.81 KDM4E (0.46) ATRPRKDCATMCHEK1ALDH1A1
SCHEMBL3460619 0.80 PIK3CD (0.44) ATRPRKDCATMGRM5
SCHEMBL11903656 0.79 CHEK1 (0.34) MAP4K4CLK4CHEK1PDPK1DYRK3
SCHEMBL22889701 0.79 KDM4E (0.35) MAP4K4CLK4CHEK1PDPK1DYRK3
SCHEMBL29643987 0.79 KDM4E (0.35) MAP4K4CLK4CHEK1PDPK1DYRK3
SCHEMBL1318334 0.76 GRM5 (0.51) ATRPRKDCATMMAP4K4PIM1
SCHEMBL22889700 0.75 APP (0.35) MAP4K4CLK4CHEK1PDPK1DYRK3
SCHEMBL10256130 0.75 PLAU (0.46) ATRPRKDCCSNK2A1ALDH1A1
SCHEMBL28412064 0.74 CSNK1A1 (0.41) CLK4CHEK1CSNK1A1HTTUSP2
SCHEMBL410727 0.73 ATR (0.58) ATRPRKDCATMPIM1PIM3

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
EP-3466929-B1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS MILLENNIUM PHARM INC (US) 2023-09-06 — — EP disclosed
US-20230113598-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS BIOGEN IDEC MA INC. 2023-04-13 — — US disclosed
US-20210070752-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS VIRACTA THERAPEUTICS, INC. 2021-03-11 — — US disclosed
US-10759785-B2 Compounds Enterprise Therapeutics Limited (GB) 2020-09-01 — — US disclosed
US-10759785-B2 Compounds Enterprise Therapeutics Limited (GB) 2020-09-01 — — US disclosed
EP-3472154-B1 COMPOUNDS ENTERPRISE THERAPEUTICS LTD (GB) 2020-08-12 — — EP disclosed
EP-3472154-B1 COMPOUNDS ENTERPRISE THERAPEUTICS LTD (GB) 2020-08-12 — — EP disclosed
US-20190233402-A1 COMPOUNDS Enterprise Therapeutics Limited (GB) 2019-08-01 — — US disclosed
US-20190233402-A1 COMPOUNDS Enterprise Therapeutics Limited (GB) 2019-08-01 — — US disclosed
US-20190119268-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2019-04-25 — — US disclosed
EP-3070077-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2016-09-21 — — EP disclosed
EP-2485731-B1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS MILLENNIUM PHARM INC (US) 2016-05-11 — — EP disclosed
CN-102665718-B Heterocyclic compounds useful as PDK1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-03-09 — — CN disclosed
US-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-08-16 — — US disclosed
EP-2485731-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2012-08-15 — — EP disclosed
EP-1715867-A4 BIPYRIDYL AMIDES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2009-04-15 — — EP disclosed
US-20070149547-A1 Bipyridyl amides as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-06-28 — — US disclosed
CN-1933838-A Bipyridyl amides as modulators of metabotropic glutamate receptor-5 MERCK & CO INC (US) 2007-03-21 — — CN disclosed
EP-1715867-A1 BIPYRIDYL AMIDES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2006-11-02 — — EP disclosed
WO-2005079802-A1 BIPYRIDYL AMIDES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2005-09-01 — — 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-20070149547-A1 Bipyridyl amides as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GABRA5 ATR 3153/4885PRKDC 4859/4885ATM 4580/4885
US-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 ATR 1624/4885PRKDC 486/4885ATM 405/4885
US-20190233402-A1 COMPOUNDS CFTR, NHERF1, SCNN1A ATR 3410/4885PRKDC 4869/4885ATM 3640/4885
US-20210070752-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 ATR 1624/4885PRKDC 486/4885ATM 405/4885
US-20190119268-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 ATR 1624/4885PRKDC 486/4885ATM 405/4885
US-10759785-B2 Compounds CFTR, NHERF1, SCNN1A ATR 3410/4885PRKDC 4869/4885ATM 3640/4885
US-20230113598-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 ATR 1624/4885PRKDC 486/4885ATM 405/4885

“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.