SCHEMBL3300957

SCHEMBL3300957

Nc1ccc(-c2nccc3nc(Nc4ccc(C(F)(F)F)cc4)nn23)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.50
KCNH2 Q12809 1/20 0.42
SCN9A Q15858 1/20 0.42
PLK1 P53350 1/20 0.38
CDK2 P24941 2/20 0.38
GSK3B P49841 2/20 0.38
JAK3 P52333 1/20 0.38
PTK2 Q05397 1/20 0.38
SYK P43405 1/20 0.37
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GSK3A P49840 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
SCHEMBL3306579 0.85 JAK2 (0.52) JAK2PLK1JAK3IKBKBKDR
SCHEMBL17685333 0.82 JAK2 (0.51) JAK2JAK3PTK2JAK1
SCHEMBL30263729 0.78 JAK2 (0.71) JAK2PLK1CDK2JAK3PTK2
SCHEMBL3308615 0.78 JAK2 (0.40) JAK2KCNH2CDK2JAK3KDR
SCHEMBL14353910 0.78 CHEK2 (0.42) JAK2PLK1CDK2GSK3BGSK3A
SCHEMBL3300358 0.77 JAK2 (0.39) JAK2KCNH2KDR
SCHEMBL3308291 0.77 JAK2 (0.39) JAK2KCNH2CDK2KDR
SCHEMBL3305593 0.77 JAK2 (0.41) JAK2KCNH2PLK1GSK3BKDR
SCHEMBL3299809 0.77 JAK2 (0.45) JAK2KCNH2SCN9ACDK2GSK3B
SCHEMBL3301200 0.77 BRAF (0.43) JAK2GSK3BGSK3AKDR

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 JAK2 26/4885KCNH2 3121/4885SCN9A 4683/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK2 26/4885KCNH2 3121/4885SCN9A 4683/4885

“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.