SCHEMBL3301318

SCHEMBL3301318

N#Cc1cccc(Cc2cccc3nc(Nc4ccccc4)nn23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
JAK2 O60674 3/20 0.40
JAK3 P52333 2/20 0.40
ALDH1A1 P00352 3/20 0.39
CDC7 O00311 1/20 0.39
LMNA P02545 2/20 0.39
IDH1 O75874 1/20 0.38
NTRK1 P04629 1/20 0.38
NTRK3 Q16288 1/20 0.38
NTRK2 Q16620 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTK2 Q05397 1/20 0.38

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
SCHEMBL2144998 0.86 JAK2 (0.50) JAK2JAK3PTK2
SCHEMBL2145167 0.79 ADORA2B (0.56) ADORA2BADORA1JAK2JAK3ALDH1A1
SCHEMBL2144920 0.78 IDH1 (0.42) JAK2JAK3IDH1PTK2
SCHEMBL2144481 0.76 JAK2 (0.55) ADORA2BADORA1JAK2JAK3ALDH1A1
SCHEMBL3301334 0.74 JAK2 (0.44) ADORA1JAK2JAK3CYP1A2TSHR
SCHEMBL3305634 0.74 JAK2 (0.51) ADORA2BADORA1JAK2JAK3PTK2
SCHEMBL2144107 0.73 PLA2G10 (0.45) JAK2JAK3NTRK1PTK2SYK
SCHEMBL2145028 0.73 EGLN2 (0.65) JAK2JAK3PTK2EGLN2
SCHEMBL23270641 0.70 ADORA1 (0.51) ADORA2BADORA1ALDH1A1LMNAKDM4E
SCHEMBL2144655 0.70 JAK2 (0.45) JAK2JAK3PTK2

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 ADORA2B 971/4885ADORA1 785/4885JAK2 26/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 ADORA2B 971/4885ADORA1 785/4885JAK2 26/4885

“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.