SCHEMBL3303757

SCHEMBL3303757

CCOC(=O)CNCc1nccc2nc(Nc3ccc(C(F)(F)F)cc3)nn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.41
MAPT P10636 1/20 0.40
FPR2 P25090 2/20 0.39
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
DHODH Q02127 1/20 0.38
SYK P43405 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GSK3B P49841 2/20 0.36
GSK3A P49840 1/20 0.36
JAK2 O60674 2/20 0.36
JAK3 P52333 2/20 0.36
PTK2 Q05397 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK8 P45983 1/20 0.36
CDK2 P24941 1/20 0.36
POLB P06746 1/20 0.36
IDH1 O75874 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL3309055 0.87 JAK2 (0.42) MAPTKDM4EHTTDHODHSYK
SCHEMBL3300216 0.83 KDR (0.38) KDRMAPTFPR2DHODHSYK
SCHEMBL3301204 0.79 JAK2 (0.44) DHODHSYKGSK3BGSK3AJAK2
SCHEMBL3297696 0.77 JAK2 (0.42) SYKGSK3BGSK3AJAK2JAK3
SCHEMBL3302909 0.77 KCNH2 (0.44) SYKGSK3BGSK3AJAK2JAK3
SCHEMBL3301541 0.76 MAPK8 (0.41) FPR2SYKGSK3BGSK3AJAK2
SCHEMBL3301172 0.76 JAK2 (0.41) KDRSYKGSK3BGSK3AJAK2
SCHEMBL3309059 0.74 JAK2 (0.44) MAPTFPR2DHODHNPSR1JAK2
SCHEMBL2144351 0.74 JAK2 (0.43) SYKJAK2JAK3PTK2
SCHEMBL3302797 0.73 FAAH (0.41) JAK2JAK3PTK2MAPK8

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 KDR 1041/4885MAPT 1496/4885FPR2 602/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 KDR 1041/4885MAPT 1496/4885FPR2 602/4885

“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.