SCHEMBL3301263

SCHEMBL3301263

Cc1nn(C2CCCCO2)c2cc(Nc3nc4ccccn4n3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.43
JAK3 P52333 2/20 0.43
DGAT2 Q96PD7 1/20 0.36
SYK P43405 5/20 0.35
GAA P10253 2/20 0.33
TBK1 Q9UHD2 1/20 0.33
GRIN2B Q13224 2/20 0.33
LRRK2 Q5S007 2/20 0.33
TTK P33981 1/20 0.33
GRM4 Q14833 1/20 0.32
IDO1 P14902 1/20 0.32
MAPT P10636 1/20 0.32
PDE7A Q13946 1/20 0.31
ATR Q13535 1/20 0.31
PTK2 Q05397 1/20 0.31

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
SCHEMBL3308099 0.87 SYK (0.35) DGAT2SYKGAATBK1TTK
SCHEMBL29658977 0.80 GAA (0.40) DGAT2SYKGAAPDE7AATR
SCHEMBL22980700 0.80 GAA (0.40) DGAT2SYKGAAPDE7AATR
SCHEMBL3304664 0.78 SYK (0.35) JAK2JAK3DGAT2SYKTBK1
SCHEMBL3303644 0.78 JAK2 (0.34) JAK2JAK3DGAT2SYKTBK1
SCHEMBL14354089 0.74 JAK2 (0.36) JAK2JAK3DGAT2SYK
SCHEMBL3303306 0.74 SYK (0.33) JAK2SYKTBK1GRM4ATR
SCHEMBL3303474 0.74 SYK (0.34) JAK2SYKTBK1ATR
SCHEMBL3303107 0.73 SYK (0.35) JAK2SYKTBK1ATR
SCHEMBL14538892 0.73 GAA (0.45) DGAT2GAAMAPTATR

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 JAK2 26/4885JAK3 86/4885DGAT2 2202/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK2 26/4885JAK3 86/4885DGAT2 2202/4885

“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.