SCHEMBL930182

SCHEMBL930182

COc1ccc(C#N)nc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.46
USP8 P40818 2/20 0.39
USP7 Q93009 2/20 0.39
HPGDS O60760 2/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
USP2 O75604 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NQO2 P16083 2/20 0.36
AR P10275 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL29561065 1.00 NQO1 (0.46) NQO1USP8USP7HPGDSALDH1A1
SCHEMBL31432803 0.82 NQO1 (0.47) NQO1USP8USP7HPGDSALDH1A1
SCHEMBL452416 0.82 NQO1 (0.47) NQO1USP8USP7HPGDSALDH1A1
SCHEMBL18387751 0.80 S1PR4 (0.40) NQO1USP8ARMAPK8
SCHEMBL29419364 0.80 S1PR4 (0.40) NQO1USP8ARMAPK8
SCHEMBL7226370 0.78 NQO1 (0.47) NQO1USP8USP7HPGDSALDH1A1
SCHEMBL11916706 0.77 NQO1 (0.46) NQO1USP8HPGDSALDH1A1KDM4E
SCHEMBL4702849 0.76 PDE4A (0.48) NQO1USP8USP7HPGDSALDH1A1
SCHEMBL1855647 0.75 MAPK8 (0.42) NQO1HPGDSALDH1A1KDM4EPDE4A
SCHEMBL16772843 0.74 NQO1 (0.44) NQO1USP8USP7HPGDSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150364-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2024-05-09 US disclosed
US-20220389020-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2022-12-08 US disclosed
EP-3670514-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2020-06-24 EP disclosed
EP-3670514-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2020-06-24 EP disclosed
EP-3333169-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2018-06-13 EP disclosed
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2017-10-05 US disclosed
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2017-10-05 US disclosed
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2017-10-05 US disclosed
EP-2323985-B1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2017-01-11 EP disclosed
EP-2323985-B1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2017-01-11 EP disclosed
WO-2010054278-A2 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2010-05-14 WO disclosed
WO-2010051237-A1 2,5-DISUBSTITUTED PHENYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-05-06 WO disclosed
WO-2010051237-A1 2,5-DISUBSTITUTED PHENYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-05-06 WO disclosed
WO-2010017260-A1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2010-02-11 WO disclosed
WO-2010017260-A1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2010-02-11 WO disclosed
US-20100035931-A1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-02-11 US disclosed
US-20100035931-A1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-02-11 US disclosed
US-20100035931-A1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-02-11 US disclosed
WO-2009020642-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-02-12 WO disclosed
WO-2009020642-A1 PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-02-12 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 (4 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-20220389020-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 NQO1 3364/4885USP8 1651/4885USP7 3334/4885
US-20100035931-A1 TRIPYRIDYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NTSR2 NQO1 1916/4885USP8 3085/4885USP7 3262/4885
US-20240150364-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 NQO1 3364/4885USP8 1651/4885USP7 3334/4885
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 NQO1 3364/4885USP8 1651/4885USP7 3334/4885

“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.