SCHEMBL3307934

SCHEMBL3307934

O=C1CN(Cc2nccc3nc(Nc4ccc5c(C(F)(F)F)n[nH]c5c4)nn23)CCN1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
GRM4 Q14833 9/20 0.35
SCN9A Q15858 3/20 0.34
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
PDE10A Q9Y233 1/20 0.33
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
GRM2 Q14416 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
SYK P43405 1/20 0.31
CDK4 P11802 1/20 0.31
CDK6 Q00534 1/20 0.31
TNIK Q9UKE5 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
SCHEMBL2144305 0.89 JAK2 (0.41) JAK2JAK1GRM4SCN9AKMT2A
SCHEMBL3303365 0.83 SCN9A (0.44) JAK2JAK1SCN9A
SCHEMBL3304040 0.79 JAK2 (0.33) JAK2JAK1SCN9AEGFRERBB2
SCHEMBL2144548 0.77 JAK2 (0.42) JAK2JAK1KMT2AATMPDE10A
SCHEMBL2145081 0.74 JAK2 (0.40) JAK2JAK1KMT2AATMPDE10A
SCHEMBL3305832 0.73 IKBKB (0.47) JAK2JAK1SCN9ASYK
SCHEMBL2144840 0.71 JAK2 (0.46) JAK2JAK1SCN9A
SCHEMBL3305416 0.70 JAK2 (0.33) JAK2JAK1EGFRERBB2
SCHEMBL3300360 0.69 JAK2 (0.39) JAK2JAK1SCN9AKMT2AATM
SCHEMBL3300086 0.69 JAK1 (0.39) JAK2JAK1SCN9AKMT2AATM

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 69/4885GRM4 2998/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK2 26/4885JAK1 69/4885GRM4 2998/4885

“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.