SCHEMBL3303365

SCHEMBL3303365

O=C1CN(Cc2nccc3nc(Nc4ccc(C(F)(F)F)cc4)nn23)CCN1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.44
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42
JAK2 O60674 6/20 0.41
JAK1 P23458 2/20 0.41
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
JAK3 P52333 5/20 0.37
TYK2 P29597 1/20 0.37
PTK2 Q05397 4/20 0.36
PTGIR P43119 1/20 0.34
MCHR1 Q99705 1/20 0.34
BACE1 P56817 1/20 0.34
KCNH2 Q12809 1/20 0.34
CDK2 P24941 1/20 0.34
HTR2A P28223 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3305832 0.89 IKBKB (0.47) SCN9AIKBKBCHUKJAK2JAK1
SCHEMBL2144840 0.87 JAK2 (0.46) SCN9AIKBKBCHUKJAK2JAK1
SCHEMBL3307934 0.83 JAK2 (0.36) SCN9AJAK2JAK1
SCHEMBL3309027 0.83 JAK2 (0.38) SCN9AIKBKBCHUKJAK2JAK1
SCHEMBL3303425 0.82 IKBKB (0.41) SCN9AIKBKBCHUKJAK2JAK1
SCHEMBL2144339 0.82 JAK2 (0.41) SCN9AIKBKBCHUKJAK2JAK1
SCHEMBL3306004 0.82 JAK2 (0.46) JAK2JAK3PTK2
SCHEMBL3302797 0.80 FAAH (0.41) IKBKBCHUKJAK2JAK3PTK2
SCHEMBL3300834 0.80 JAK2 (0.42) SCN9AJAK2JAK1CTSSCTSK
SCHEMBL3302340 0.77 JAK2 (0.42) IKBKBCHUKJAK2JAK1CTSS

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 SCN9A 4683/4885IKBKB 221/4885CHUK 68/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 SCN9A 4683/4885IKBKB 221/4885CHUK 68/4885

“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.