SCHEMBL3303644

SCHEMBL3303644

Cc1nn(C2CCCCO2)c2cc(Nc3nc4cccc(C[C@H](C)CO)n4n3)ccc12

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.34
SYK P43405 1/20 0.34
JAK3 P52333 8/20 0.32
PTK2 Q05397 8/20 0.32
FLT3 P36888 1/20 0.32
TBK1 Q9UHD2 1/20 0.31
JAK1 P23458 1/20 0.31
DGAT2 Q96PD7 1/20 0.30

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
SCHEMBL3304664 0.91 SYK (0.35) JAK2SYKJAK3PTK2FLT3
SCHEMBL3303306 0.89 SYK (0.33) JAK2SYKFLT3TBK1
SCHEMBL3303474 0.82 SYK (0.34) JAK2SYKFLT3TBK1
SCHEMBL3303763 0.79 PDE7A (0.34) JAK2SYKTBK1JAK1
SCHEMBL3303107 0.79 SYK (0.35) JAK2SYKTBK1
SCHEMBL3301263 0.78 JAK2 (0.43) JAK2SYKJAK3PTK2TBK1
SCHEMBL3308099 0.76 SYK (0.35) SYKTBK1DGAT2
SCHEMBL14354089 0.75 JAK2 (0.36) JAK2SYKJAK3JAK1DGAT2
SCHEMBL2144075 0.74 JAK2 (0.39) JAK2JAK3PTK2
SCHEMBL13392682 0.74 JAK2 (0.39) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 26/4885SYK 387/4885JAK3 86/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK2 26/4885SYK 387/4885JAK3 86/4885

“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.