SCHEMBL3104872

SCHEMBL3104872

Nc1nc2cccc(-c3cccc(Cl)c3)n2n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 4/20 0.69
EGLN2 Q96KS0 2/20 0.59
JAK1 P23458 4/20 0.56
JAK2 O60674 1/20 0.54
DYRK3 O43781 2/20 0.50
CCNT1 O60563 2/20 0.50
CCNA2 P20248 2/20 0.50
CDK2 P24941 2/20 0.50
CDK9 P50750 2/20 0.50
CDK5 Q00535 2/20 0.50
DYRK1A Q13627 2/20 0.50
CDK5R1 Q15078 2/20 0.50
DYRK2 Q92630 2/20 0.50
DYRK1B Q9Y463 2/20 0.50
JAK3 P52333 1/20 0.46
DHFR P00374 1/20 0.43
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
ADORA2B P29275 1/20 0.42
FYN P06241 1/20 0.41

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
SCHEMBL3212521 0.89 NUDT1 (0.67) NUDT1EGLN2JAK1JAK2DYRK3
SCHEMBL3099050 0.83 NUDT1 (0.58) NUDT1EGLN2JAK1JAK2JAK3
SCHEMBL2144054 0.82 NUDT1 (1.00) NUDT1EGLN2JAK1JAK2DYRK1A
SCHEMBL3087585 0.82 NUDT1 (0.69) NUDT1EGLN2JAK1JAK2JAK3
SCHEMBL5462584 0.78 KDM4E (0.70) NUDT1EGLN2DYRK3CCNT1CCNA2
SCHEMBL10855803 0.78 NUDT1 (0.46) NUDT1EGLN2DYRK3CCNT1CCNA2
SCHEMBL1422839 0.78 NUDT1 (0.64) NUDT1EGLN2JAK1JAK2JAK3
SCHEMBL3304801 0.78 JAK1 (0.75) NUDT1EGLN2JAK1JAK2DYRK1A
SCHEMBL3601961 0.78 NUDT1 (0.78) NUDT1EGLN2JAK1JAK2JAK3
SCHEMBL3215698 0.77 NUDT1 (0.67) NUDT1EGLN2JAK1JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057158-B1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS CELLZOME LTD (GB) 2015-08-12 EP claimed
US-8883820-B2 Triazole derivatives as kinase inhibitors CELLZOME LTD. (GB) 2014-11-11 US claimed
US-8431596-B2 [1,2,4]triazolo[1,5-a]pyridine and [1,2,4]triazolo[1,5-c]pyrimidine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-04-30 US claimed
US-20100227800-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2010-09-09 US claimed
EP-2057158-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS Cellzome Limited (GB) 2009-05-13 EP claimed
WO-2008025821-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO claimed
EP-1894931-A1 Triazole derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-05 EP claimed
US-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-01-28 US disclosed
US-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-01-28 US disclosed
US-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-01-28 US disclosed
EP-2057158-B1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS CELLZOME LTD (GB) 2015-08-12 EP disclosed
US-20140378449-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-12-25 US disclosed
US-20140378449-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-12-25 US disclosed
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. 2010-02-11 US disclosed
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. 2010-02-11 US disclosed
WO-2009155565-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2009-12-23 WO disclosed
EP-2057158-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS Cellzome Limited (GB) 2009-05-13 EP disclosed
WO-2009017954-A1 INHIBITORS OF JAK2 KINASE PHENOMIX CORPORATION (US) 2009-02-05 WO disclosed
WO-2008025821-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO disclosed
EP-1894931-A1 Triazole derivatives as kinase inhibitors CELLZOME AG (DE) 2008-03-05 EP 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-20140378449-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NUDT1 3080/4885EGLN2 3771/4885JAK1 2/4885
US-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NUDT1 3080/4885EGLN2 3771/4885JAK1 2/4885
US-20100227800-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS ITK, PIK3C3, TXK NUDT1 2884/4885EGLN2 1996/4885JAK1 13/4885
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NUDT1 3080/4885EGLN2 3771/4885JAK1 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.