SCHEMBL3304372

SCHEMBL3304372

O=C(O)N1CCN(Cc2cccc3nc(Nc4ccc(C(F)(F)F)cc4)nn23)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.44
JAK2 O60674 13/20 0.43
JAK3 P52333 12/20 0.43
PTK2 Q05397 11/20 0.43
JAK1 P23458 1/20 0.42
HIF1A Q16665 2/20 0.41
EPAS1 Q99814 2/20 0.41
PRKAB2 O43741 2/20 0.41
PRKAG1 P54619 2/20 0.41
PRKAA2 P54646 2/20 0.41
PRKAA1 Q13131 2/20 0.41
PRKAG3 Q9UGI9 2/20 0.41
PRKAG2 Q9UGJ0 2/20 0.41
PRKAB1 Q9Y478 2/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL13504470 0.87 JAK2 (0.57) JAK2JAK3PTK2JAK1
SCHEMBL2144584 0.87 JAK2 (0.46) JAK2JAK3PTK2JAK1SIGMAR1
SCHEMBL2144500 0.86 JAK2 (0.46) JAK2JAK3PTK2JAK1SIGMAR1
SCHEMBL3302797 0.86 FAAH (0.41) FAAHJAK2JAK3PTK2HIF1A
SCHEMBL2144031 0.84 JAK2 (0.44) JAK2JAK3PTK2JAK1
SCHEMBL2145026 0.84 PTK2 (0.48) JAK2JAK3PTK2JAK1
SCHEMBL2143973 0.84 JAK2 (0.51) JAK2JAK3PTK2JAK1HIF1A
SCHEMBL2145289 0.83 JAK2 (0.46) JAK2JAK3PTK2JAK1HIF1A
SCHEMBL3300834 0.81 JAK2 (0.42) JAK2JAK3PTK2JAK1
SCHEMBL3302404 0.81 JAK1 (0.46) JAK2JAK3PTK2JAK1

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 FAAH 2546/4885JAK2 26/4885JAK3 86/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 FAAH 2546/4885JAK2 26/4885JAK3 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.