SCHEMBL3301849

SCHEMBL3301849

O=C1CCC(Cc2cccc3nc(Nc4ccc(C(F)(F)F)cc4)nn23)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.43
JAK1 P23458 3/20 0.43
JAK3 P52333 11/20 0.41
PTK2 Q05397 9/20 0.41
BMI1 P35226 1/20 0.35
SCN9A Q15858 4/20 0.35
AURKA O14965 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
PLK1 P53350 1/20 0.34
CCNA1 P78396 1/20 0.34
TYK2 P29597 1/20 0.34

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
SCHEMBL2144135 0.87 JAK2 (0.44) JAK2JAK1JAK3PTK2BMI1
SCHEMBL13391951 0.87 JAK2 (0.44) JAK2JAK1JAK3PTK2BMI1
SCHEMBL2144131 0.87 JAK2 (0.44) JAK2JAK1JAK3PTK2BMI1
SCHEMBL2144458 0.87 JAK2 (0.44) JAK2JAK1JAK3PTK2BMI1
SCHEMBL3308010 0.87 JAK2 (0.47) JAK2JAK1JAK3PTK2TYK2
SCHEMBL3304835 0.85 IKBKB (0.38) JAK2JAK1JAK3PTK2SCN9A
SCHEMBL3305993 0.85 JAK2 (0.41) JAK2JAK1JAK3PTK2BMI1
SCHEMBL3305999 0.85 JAK2 (0.41) JAK2JAK1JAK3PTK2BMI1
SCHEMBL2144762 0.84 JAK2 (0.41) JAK2JAK1JAK3PTK2
SCHEMBL3302352 0.83 JAK2 (0.39) JAK2JAK1JAK3PTK2BMI1

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 26/4885JAK1 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.