SCHEMBL3304671

SCHEMBL3304671

O=C(O)CN(CC(=O)O)Cc1cccc2nc(Nc3ccc(C(F)(F)F)cc3)nn12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.42
JAK1 P23458 2/20 0.42
JAK3 P52333 10/20 0.42
PTK2 Q05397 9/20 0.42
MAPK8 P45983 1/20 0.37
NTRK1 P04629 1/20 0.37
KCNH3 Q9ULD8 1/20 0.36
RORC P51449 1/20 0.36
SYK P43405 1/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL3301541 0.84 MAPK8 (0.41) JAK2JAK1JAK3PTK2MAPK8
SCHEMBL3303085 0.84 JAK2 (0.48) JAK2JAK1JAK3PTK2KCNH3
SCHEMBL2144355 0.82 JAK2 (0.45) JAK2JAK1JAK3PTK2KCNH3
SCHEMBL3308940 0.80 JAK2 (0.45) JAK2JAK1JAK3PTK2KCNH3
SCHEMBL3306787 0.79 JAK2 (0.42) JAK2JAK1JAK3PTK2RORC
SCHEMBL2144351 0.78 JAK2 (0.43) JAK2JAK1JAK3PTK2RORC
SCHEMBL2144098 0.78 JAK2 (0.43) JAK2JAK1JAK3PTK2MAPK8
SCHEMBL3304372 0.78 FAAH (0.44) JAK2JAK1JAK3PTK2
SCHEMBL2144345 0.77 JAK2 (0.42) JAK2JAK1JAK3PTK2NTRK1
SCHEMBL14457306 0.77 JAK2 (0.43) JAK2JAK1JAK3PTK2NTRK1

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-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 (1 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-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.