SCHEMBL3306035

SCHEMBL3306035

CC(=O)Nc1cccc2nc(N)nn12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 4/20 0.49
JAK1 P23458 6/20 0.46
EGLN2 Q96KS0 2/20 0.43
LMNA P02545 2/20 0.40
JAK3 P52333 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
PIK3CG P48736 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL14888542 0.77 NUDT1 (0.58) NUDT1JAK1EGLN2ALDH1A1KDM4E
SCHEMBL2144688 0.76 JAK1 (0.56) JAK1EGLN2LMNAJAK3POLB
SCHEMBL3302106 0.76 JAK1 (0.52) NUDT1JAK1EGLN2JAK3ALDH1A1
SCHEMBL3303549 0.75 NUDT1 (0.38) NUDT1JAK1EGLN2LMNAJAK3
SCHEMBL3300546 0.70 NUDT1 (0.57) NUDT1JAK1EGLN2JAK3KDM4E
SCHEMBL17174636 0.69 NUDT1 (0.51) NUDT1JAK1EGLN2LMNAJAK3
SCHEMBL24656050 0.69 NUDT1 (0.59) NUDT1JAK1EGLN2JAK3ALDH1A1
SCHEMBL3303904 0.69 NUDT1 (0.44) NUDT1JAK1EGLN2JAK3
SCHEMBL3303902 0.69 NUDT1 (0.44) NUDT1JAK1EGLN2JAK3
SCHEMBL3593982 0.69 JAK1 (0.61) NUDT1JAK1JAK3ALDH1A1KDM4E

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 NUDT1 1120/4885JAK1 69/4885EGLN2 564/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 NUDT1 1120/4885JAK1 69/4885EGLN2 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.