SCHEMBL3304445

SCHEMBL3304445

Nc1nc2ccnc(Br)n2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 5/20 0.43
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EGLN2 Q96KS0 1/20 0.37
JAK1 P23458 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAP3K14 Q99558 2/20 0.33
PDE10A Q9Y233 1/20 0.33
DGAT1 O75907 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32

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
SCHEMBL3304767 0.79 PDE10A (0.31) PDE10A
SCHEMBL3304584 0.78 NUDT1 (0.44) NUDT1KDM4EALDH1A1NPC1TP53
SCHEMBL3308617 0.74 EGLN2 (0.47) NUDT1KDM4EALDH1A1NPC1TP53
SCHEMBL3582788 0.74 NUDT1 (0.39) NUDT1KDM4EALDH1A1NPC1TP53
SCHEMBL7870509 0.74 JAK1 (0.50) NUDT1KDM4EALDH1A1NPC1TP53
SCHEMBL10594540 0.73 NUDT1 (0.46) NUDT1KDM4EALDH1A1NPC1HPGD
SCHEMBL3306356 0.73 NUDT1 (0.57) NUDT1KDM4EALDH1A1NPC1TP53
SCHEMBL10594663 0.73 NUDT1 (0.41) NUDT1KDM4EALDH1A1NPC1TP53
SCHEMBL45713 0.72 NUDT1 (0.56) NUDT1KDM4EALDH1A1EGLN2JAK1
SCHEMBL10852850 0.71 EGLN2 (0.38) NUDT1KDM4EALDH1A1NPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889673-B2 Triazolopyridine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-11-18 US 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-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-10-18 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 (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-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 NUDT1 1120/4885KDM4E 1965/4885ALDH1A1 1694/4885
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NUDT1 3080/4885KDM4E 2916/4885ALDH1A1 2375/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 NUDT1 1120/4885KDM4E 1965/4885ALDH1A1 1694/4885

“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.