SCHEMBL3304040

SCHEMBL3304040

C[Si](C)(C)CCOCn1nc(C(F)(F)F)c2ccc(Nc3nc4ccnc(CN5CCNC(=O)C5)n4n3)cc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
SCN9A Q15858 2/20 0.33
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
DGAT1 O75907 1/20 0.31
HTR2A P28223 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 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
SCHEMBL3308438 0.91 JAK2 (0.37) JAK2JAK1SCN9AEGFRERBB2
SCHEMBL3305416 0.88 JAK2 (0.33) JAK2JAK1EGFRERBB2
SCHEMBL3309523 0.79 JAK2 (0.37) JAK2JAK1EGFRERBB2
SCHEMBL3307934 0.79 JAK2 (0.36) JAK2JAK1SCN9AEGFRERBB2
SCHEMBL3303365 0.77 SCN9A (0.44) JAK2JAK1SCN9AHTR2ACTSS
SCHEMBL2144305 0.69 JAK2 (0.41) JAK2JAK1SCN9AEGFRERBB2
SCHEMBL3305832 0.67 IKBKB (0.47) JAK2JAK1SCN9AHTR2ACTSS
SCHEMBL2144840 0.66 JAK2 (0.46) JAK2JAK1SCN9ACTSSCTSK
SCHEMBL31330571 0.66 DGAT1 (0.53) DGAT1
SCHEMBL3304714 0.65 MAPKAPK2 (0.38) JAK2JAK1

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 26/4885JAK1 69/4885SCN9A 4683/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK2 26/4885JAK1 69/4885SCN9A 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.