SCHEMBL3087585

SCHEMBL3087585

Nc1nc2cccc(-c3cccc(F)c3)n2n1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 3/20 0.69
EGLN2 Q96KS0 3/20 0.59
JAK1 P23458 3/20 0.56
FYN P06241 3/20 0.44
JAK3 P52333 1/20 0.44
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
ADORA2A P29274 3/20 0.42
ADORA1 P30542 2/20 0.42
JAK2 O60674 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADORA2B P29275 1/20 0.40

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
SCHEMBL3215698 0.89 NUDT1 (0.67) NUDT1EGLN2JAK1JAK3KDM4E
SCHEMBL2250300 0.84 NUDT1 (0.73) NUDT1EGLN2JAK1JAK3KDM4E
SCHEMBL2144054 0.82 NUDT1 (1.00) NUDT1EGLN2JAK1JAK3KDM4E
SCHEMBL3104872 0.82 NUDT1 (0.69) NUDT1EGLN2JAK1FYNJAK3
SCHEMBL3099050 0.80 NUDT1 (0.58) NUDT1EGLN2JAK1FYNJAK3
SCHEMBL1422839 0.78 NUDT1 (0.64) NUDT1EGLN2JAK1JAK3KDM4E
SCHEMBL3304801 0.78 JAK1 (0.75) NUDT1EGLN2JAK1FYNJAK3
SCHEMBL3104923 0.78 NUDT1 (0.59) NUDT1EGLN2JAK1
SCHEMBL7963634 0.78 JAK2 (0.53) EGLN2JAK1JAK3JAK2
SCHEMBL3601961 0.78 NUDT1 (0.78) NUDT1EGLN2JAK1JAK3KDM4E

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 18 patents. 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-9012633-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) 2015-04-21 US claimed
US-8883820-B2 Triazole derivatives as kinase inhibitors CELLZOME LTD. (GB) 2014-11-11 US claimed
US-20140155594-A1 [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) 2014-06-05 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-20100298339-A1 [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) 2010-11-25 US claimed
US-20100227800-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2010-09-09 US claimed
EP-2217578-A1 [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) 2010-08-18 EP claimed
EP-2057158-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS Cellzome Limited (GB) 2009-05-13 EP claimed
WO-2009047514-A1 [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) 2009-04-16 WO 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
EP-2057158-B1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS CELLZOME LTD (GB) 2015-08-12 EP disclosed
US-8883820-B2 Triazole derivatives as kinase inhibitors CELLZOME LTD. (GB) 2014-11-11 US disclosed
US-20100227800-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2010-09-09 US disclosed
EP-2057158-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS Cellzome Limited (GB) 2009-05-13 EP 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 (3 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-20100227800-A1 TRIAZOLE DERIVATIVES AS KINASE INHIBITORS ITK, PIK3C3, TXK NUDT1 2884/4885EGLN2 1996/4885JAK1 13/4885
US-20100298339-A1 [1,2,4]Triazolo[1,5-a]Pyridine and [1,2,4]Triazolo[1,5-c]Pyrimidine Compounds and Their Use AXL, TYRO3, FLT3 NUDT1 2497/4885EGLN2 3693/4885JAK1 14/4885
US-20140155594-A1 [1,2,4]Triazolo[1,5-a]Pyridine and [1,2,4]Triazolo[1,5-c]Pyrimidine Compounds and Their Use AXL, TYRO3, FLT3 NUDT1 2497/4885EGLN2 3693/4885JAK1 14/4885

“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.