SCHEMBL3304801

SCHEMBL3304801

COc1cccc(-c2cccc3nc(N)nn23)c1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.75
NUDT1 P36639 3/20 0.64
EGLN2 Q96KS0 2/20 0.59
JAK2 O60674 3/20 0.57
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
JAK3 P52333 1/20 0.51
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
FYN P06241 5/20 0.47
ADORA2A P29274 1/20 0.45
DYRK1A Q13627 1/20 0.45
RIPK2 O43353 1/20 0.44

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
SCHEMBL15269196 0.86 JAK1 (0.56) JAK1NUDT1EGLN2KDM4EALDH1A1
SCHEMBL3090231 0.86 JAK1 (1.00) JAK1NUDT1EGLN2JAK2KDM4E
SCHEMBL3104923 0.83 NUDT1 (0.59) JAK1NUDT1EGLN2DYRK1A
SCHEMBL3585386 0.81 JAK1 (0.70) JAK1NUDT1EGLN2JAK2KDM4E
SCHEMBL5442789 0.80 KDM4E (0.59) JAK1EGLN2KDM4EALDH1A1HPGD
SCHEMBL14888861 0.80 JAK1 (0.66) JAK1NUDT1EGLN2KDM4EALDH1A1
SCHEMBL7043841 0.80 MAPT (0.51) JAK1EGLN2KDM4EALDH1A1HPGD
SCHEMBL30263737 0.80 JAK1 (0.65) JAK1NUDT1EGLN2JAK2KDM4E
SCHEMBL2144054 0.79 NUDT1 (1.00) JAK1NUDT1EGLN2JAK2KDM4E
SCHEMBL3087585 0.78 NUDT1 (0.69) JAK1NUDT1EGLN2JAK2KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 EP disclosed
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 US disclosed
US-8299056-B2 Aminotriazolopyridines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-30 US disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 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 (2 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-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK1 69/4885NUDT1 1120/4885EGLN2 564/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK1 69/4885NUDT1 1120/4885EGLN2 564/4885

“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.