SCHEMBL3300104

SCHEMBL3300104

O=C(O)N1CCC(O)(Cc2nccc3nc(Nc4ccc(F)cc4)nn23)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.37
MET P08581 5/20 0.35
JAK2 O60674 4/20 0.35
JAK3 P52333 2/20 0.35
MAPK8 P45983 1/20 0.35
CYP46A1 Q9Y6A2 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
PTK2 Q05397 1/20 0.34
TTK P33981 1/20 0.34
LMNA P02545 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
GRM5 P41594 1/20 0.34
KDR P35968 1/20 0.34
PKLR P30613 1/20 0.34

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
SCHEMBL3303494 0.87 JAK2 (0.50) JAK2JAK3PTK2JAK1
SCHEMBL2145071 0.86 TYK2 (0.42) TYK2JAK2JAK3CYP46A1PTK2
SCHEMBL3301001 0.84 MEN1 (0.36) TYK2JAK2JAK3PTK2LMNA
SCHEMBL3302797 0.74 FAAH (0.41) JAK2JAK3MAPK8TRPV1PTK2
SCHEMBL13504284 0.74 JAK2 (0.54) TYK2JAK2JAK3PTK2LMNA
SCHEMBL3300600 0.73 FAAH (0.41) TYK2METJAK2JAK3MAPK8
SCHEMBL3300191 0.71 KCNH3 (0.40) JAK2JAK3MAPK8PTK2LMNA
SCHEMBL17685306 0.71 JAK2 (0.35) TYK2JAK2JAK3PTK2JAK1
SCHEMBL2144133 0.70 JAK2 (0.39) TYK2JAK2JAK3PTK2JAK1
SCHEMBL4634537 0.69 CYP46A1 (0.50) CYP46A1

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 TYK2 21/4885MET 1122/4885JAK2 26/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 TYK2 21/4885MET 1122/4885JAK2 26/4885

“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.