SCHEMBL3299587

SCHEMBL3299587

O=C(O)N1CCCC(Oc2cccc3nc(Nc4ccc(C(F)(F)F)cc4)nn23)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.42
JAK1 P23458 2/20 0.42
JAK3 P52333 8/20 0.40
PTK2 Q05397 6/20 0.39
LOXL2 Q9Y4K0 3/20 0.39
LOX P28300 1/20 0.39
IDH2 P48735 1/20 0.39
EGFR P00533 3/20 0.38
ITK Q08881 2/20 0.38
BTK Q06187 1/20 0.36
TYK2 P29597 1/20 0.36

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
SCHEMBL2144731 0.89 JAK2 (0.49) JAK2JAK1JAK3PTK2
SCHEMBL2144736 0.89 JAK2 (0.49) JAK2JAK1JAK3PTK2
SCHEMBL3304963 0.83 JAK2 (0.49) JAK2JAK1JAK3PTK2IDH2
SCHEMBL3304669 0.83 JAK2 (0.49) JAK2JAK1JAK3PTK2IDH2
SCHEMBL2144159 0.80 JAK2 (0.49) JAK2JAK1JAK3PTK2TYK2
SCHEMBL2144169 0.80 JAK2 (0.49) JAK2JAK1JAK3PTK2TYK2
SCHEMBL2144845 0.80 JAK2 (0.49) JAK2JAK1JAK3PTK2TYK2
SCHEMBL2144375 0.79 JAK2 (0.45) JAK2JAK1JAK3PTK2IDH2
SCHEMBL2145089 0.79 JAK2 (0.45) JAK2JAK1JAK3PTK2IDH2
SCHEMBL2144367 0.79 JAK2 (0.45) JAK2JAK1JAK3PTK2IDH2

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 26/4885JAK1 69/4885JAK3 86/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK2 26/4885JAK1 69/4885JAK3 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.