SCHEMBL3300600

SCHEMBL3300600

O=C(O)N1CCC(Cc2nccc3nc(Nc4ccccc4)nn23)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.41
MARK3 P27448 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
JAK2 O60674 3/20 0.39
JAK3 P52333 3/20 0.39
EGFR P00533 1/20 0.39
BTK Q06187 1/20 0.39
ALK Q9UM73 1/20 0.38
PTK2 Q05397 1/20 0.38
FLT3 P36888 1/20 0.37
SCN9A Q15858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
JAK1 P23458 2/20 0.37
MET P08581 1/20 0.37
TYK2 P29597 1/20 0.36
PIK3C3 Q8NEB9 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
SCHEMBL3306210 0.85 FAAH (0.42) FAAHJAK2JAK3PTK2SCN9A
SCHEMBL3299849 0.83 SYK (0.41) MARK3JAK2JAK3JAK1MET
SCHEMBL3304080 0.76 HIF1A (0.45) SMN1; SMN2
SCHEMBL3300104 0.73 TYK2 (0.37) MAPK8JAK2JAK3PTK2JAK1
SCHEMBL3300159 0.73 JAK2 (0.40) JAK2JAK3PTK2JAK1MET
SCHEMBL3308862 0.73 JAK2 (0.40) JAK2JAK3PTK2JAK1MET
SCHEMBL3304954 0.73 JAK2 (0.44) MARK3JAK2JAK3PTK2MET
SCHEMBL3302797 0.73 FAAH (0.41) FAAHMAPK8JAK2JAK3PTK2
SCHEMBL3304835 0.72 IKBKB (0.38) MAPK8JAK2JAK3PTK2SCN9A
SCHEMBL3303574 0.72 JAK2 (0.39) MAPK8MAPK10JAK2JAK3PTK2

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 FAAH 2546/4885MARK3 618/4885MAPK8 189/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 FAAH 2546/4885MARK3 618/4885MAPK8 189/4885

“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.