SCHEMBL3304245

SCHEMBL3304245

O=C(O)C1CCC(Oc2nccc3nc(Nc4ccc(C(F)(F)F)cc4)nn23)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.45
JAK1 P23458 3/20 0.45
DGAT1 O75907 2/20 0.41
SYK P43405 5/20 0.40
IDH2 P48735 1/20 0.39
DHFR P00374 1/20 0.39
MAPK8 P45983 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
KCNH2 Q12809 2/20 0.36
ADORA2A P29274 1/20 0.36
JAK3 P52333 3/20 0.36
TYK2 P29597 1/20 0.36
SCN9A Q15858 2/20 0.36
PTK2 Q05397 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
SCHEMBL3300868 0.92 JAK2 (0.44) JAK2JAK1SYKMAPK8KCNH2
SCHEMBL3304669 0.84 JAK2 (0.49) JAK2JAK1IDH2JAK3TYK2
SCHEMBL3304963 0.84 JAK2 (0.49) JAK2JAK1IDH2JAK3TYK2
SCHEMBL3302367 0.82 JAK2 (0.43) JAK2JAK1SYKIDH2DHFR
SCHEMBL3299882 0.80 CHEK1 (0.43) JAK2JAK1IDH2KCNH2JAK3
SCHEMBL3300877 0.78 TRPV1 (0.46) JAK2SYKTRPV1JAK3PTK2
SCHEMBL3302452 0.77 MAPK14 (0.41) JAK2JAK1MAPK8KCNH2JAK3
SCHEMBL2144169 0.76 JAK2 (0.49) JAK2JAK1JAK3TYK2PTK2
SCHEMBL2144159 0.76 JAK2 (0.49) JAK2JAK1JAK3TYK2PTK2
SCHEMBL2144845 0.76 JAK2 (0.49) JAK2JAK1JAK3TYK2PTK2

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 2 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-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 69/4885DGAT1 2738/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK2 26/4885JAK1 69/4885DGAT1 2738/4885

“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.