SCHEMBL3305982

SCHEMBL3305982

CC1(C)C(=O)N(COCC[Si](C)(C)C)c2cc(Nc3nc4cccc(CC5CCN(C(=O)O)CC5)n4n3)ccc21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MARK3 P27448 3/20 0.34
JAK1 P23458 4/20 0.33
JAK2 O60674 10/20 0.32
JAK3 P52333 8/20 0.32
PTK2 Q05397 7/20 0.32
SCN9A Q15858 3/20 0.31
ACP1 P24666 1/20 0.31

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
SCHEMBL3300431 0.92 JAK2 (0.42) JAK2JAK3PTK2
SCHEMBL3298196 0.87 JAK2 (0.31) JAK1JAK2JAK3PTK2
SCHEMBL3304765 0.81 JAK2 (0.33) MARK3JAK1JAK2JAK3PTK2
SCHEMBL3308445 0.78 JAK2 (0.33) MARK3JAK2
SCHEMBL3308105 0.77 GRM4 (0.30)
SCHEMBL2145044 0.74 JAK2 (0.37) MARK3JAK1JAK2JAK3PTK2
SCHEMBL3306210 0.74 FAAH (0.42) JAK1JAK2JAK3PTK2SCN9A
SCHEMBL2144254 0.68 JAK2 (0.41) JAK1JAK2JAK3PTK2
SCHEMBL2144553 0.67 JAK2 (0.37) JAK1JAK2JAK3PTK2
SCHEMBL2144549 0.67 JAK2 (0.37) JAK1JAK2JAK3PTK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 EP disclosed
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 MARK3 618/4885JAK1 69/4885JAK2 26/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 MARK3 618/4885JAK1 69/4885JAK2 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.