SCHEMBL3300304

SCHEMBL3300304

CCOC(=O)C1CCC(Nc2nc3cccc(-c4ccccc4)n3n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 12/20 0.59
▸ JAK2 O60674 11/20 0.57
▸ JAK3 P52333 2/20 0.51
▸ IKBKB O14920 1/20 0.51
▸ RIPK2 O43353 1/20 0.51
▸ LCK P06239 1/20 0.51
▸ TYK2 P29597 1/20 0.51
▸ SYK P43405 1/20 0.51
▸ GSK3B P49841 1/20 0.51
▸ PTK2B Q14289 1/20 0.51

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
SCHEMBL3304434 0.85 JAK1 (0.69) JAK1JAK2JAK3IKBKBRIPK2
SCHEMBL3302399 0.83 JAK1 (0.66) JAK1JAK2JAK3IKBKBRIPK2
SCHEMBL3302406 0.83 JAK1 (0.66) JAK1JAK2JAK3IKBKBRIPK2
SCHEMBL11916701 0.75 JAK1 (1.00) JAK1JAK2JAK3IKBKBRIPK2
SCHEMBL3284135 0.73 ADORA1 (0.53) —
SCHEMBL3284138 0.73 ADORA1 (0.53) —
SCHEMBL31429929 0.73 JAK2 (0.56) JAK1JAK2JAK3TYK2
SCHEMBL2237531 0.73 JAK2 (1.00) JAK1JAK2JAK3IKBKBRIPK2
SCHEMBL5444084 0.73 KDM4E (0.57) —
SCHEMBL5457077 0.73 KDM4E (0.57) —

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 JAK1 69/4885JAK2 26/4885JAK3 86/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK1 69/4885JAK2 26/4885JAK3 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.

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