SCHEMBL763452

SCHEMBL763452

Cc1ccc(C(=O)NCCCN2CCOCC2)cc1

nearest known ligand 0.85

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.78
LMNA P02545 1/20 0.78
MAPK1 P28482 1/20 0.78
TSHR P16473 2/20 0.76
SMN1; SMN2 Q16637 3/20 0.72
ALDH1A1 P00352 3/20 0.72
KDM4E B2RXH2 1/20 0.72
MEN1 O00255 1/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2C19 P33261 1/20 0.72
KMT2A Q03164 1/20 0.72
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
HTR1A P08908 1/20 0.64
MAOA P21397 1/20 0.64
MAOB P27338 1/20 0.64
KCNH2 Q12809 1/20 0.64
CD274 Q9NZQ7 1/20 0.64

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
SCHEMBL280240 0.92 MEN1 (0.76) HTTLMNAMAPK1TSHRALDH1A1
SCHEMBL10723752 0.90 LMNA (0.74) HTTLMNAMAPK1TSHRSMN1; SMN2
SCHEMBL16574185 0.88 CD274 (0.79) TSHRALDH1A1MEN1CYP3A4CYP2C19
SCHEMBL10194869 0.87 NPSR1 (0.81) HTTLMNAMAPK1TSHRSMN1; SMN2
SCHEMBL8430041 0.87 TSHR (0.73) HTTLMNAMAPK1TSHRSMN1; SMN2
SCHEMBL13762069 0.87 ALDH1A1 (0.82) HTTLMNAMAPK1TSHRSMN1; SMN2
SCHEMBL12459935 0.86 CD274 (0.79) HTTLMNAMAPK1TSHRSMN1; SMN2
Eprobemide SCHEMBL570896 0.86 ALDH1A1 (0.85) TSHRSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL1382764 0.86 SMN1; SMN2 (0.95) TSHRSMN1; SMN2ALDH1A1KDM4ECYP2C19
SCHEMBL13211930 0.86 NPSR1 (0.79) HTTLMNAMAPK1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 US disclosed
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
WO-2017045750-A1 COMPOUNDS AS ASIC INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-03-23 WO disclosed
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-11-17 US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 US disclosed
US-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-01-28 US disclosed
WO-2015032286-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2015-03-12 WO disclosed
US-20140378449-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-12-25 US disclosed
US-7723341-B2 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2010-05-25 US disclosed
US-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods GENENTECH, INC. 2010-02-25 US disclosed
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. 2010-02-11 US disclosed
US-7601840-B2 Carboline derivatives useful in the inhibition of angiogenesis PTC THERAPEUTICS, INC. (US) 2009-10-13 US disclosed
US-20090186875-A1 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-23 US disclosed
US-20090029990-A1 Dihydropteridinones in the treatment of respiratory diseases MAIER UDO 2009-01-29 US disclosed
US-20070281962-A2 Administering 1,2,3,6-tetrasubstituted pyrido[3,4-b]indoles to inhibit the 5'-untranslated region-dependent translation; anticarcinogenic agents; retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, macular degeneration PCT THERAPEUTICS, INC. (US) 2007-12-06 US disclosed
US-20070225296-A1 Arylalkylamine Compound and Process for Preparing the Same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-09-27 US disclosed
US-20070225296-A1 Arylalkylamine Compound and Process for Preparing the Same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-09-27 US disclosed
US-20070043055-A1 Dihydropteridinones in the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-22 US 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 (13 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 HTT 4749/4885LMNA 3763/4885MAPK1 81/4885
US-20090186875-A1 Dihydrothienopyrimidines, suitable for the treatment of respiratory, gastrointestinal, inflammatory, nervous system disorders and/or cancer DPYD, DHODH, FH HTT 1796/4885LMNA 4499/4885MAPK1 1557/4885
US-20140378449-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HTT 3195/4885LMNA 4580/4885MAPK1 124/4885
US-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods JAK2, JAK1, JAK3 HTT 3195/4885LMNA 4580/4885MAPK1 124/4885
US-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HTT 3195/4885LMNA 4580/4885MAPK1 124/4885
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 HTT 2585/4885LMNA 4670/4885MAPK1 79/4885
US-20070043055-A1 Dihydropteridinones in the treatment of respiratory diseases QDPR, DHPS, NDUFS6 HTT 616/4885LMNA 2051/4885MAPK1 4306/4885
US-20070225296-A1 Arylalkylamine Compound and Process for Preparing the Same CASR, CNR1, CNR2 HTT 3126/4885LMNA 3346/4885MAPK1 1305/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 HTT 4749/4885LMNA 3763/4885MAPK1 81/4885
US-20070281962-A2 Administering 1,2,3,6-tetrasubstituted pyrido[3,4-b]indoles to inhibit the 5'-untranslated region-dependent translation; anticarcinogenic agents; retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, macular degeneration VEGFA, FLT4, MIF HTT 1444/4885LMNA 3199/4885MAPK1 2092/4885
US-20090029990-A1 Dihydropteridinones in the treatment of respiratory diseases QDPR, DHPS, NDUFS6 HTT 616/4885LMNA 2051/4885MAPK1 4306/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 HTT 4749/4885LMNA 3763/4885MAPK1 81/4885
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HTT 3195/4885LMNA 4580/4885MAPK1 124/4885

“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.