SCHEMBL3303306

SCHEMBL3303306

Cc1nn(C2CCCCO2)c2cc(Nc3nc4ccnc(C[C@H](C)CO)n4n3)ccc12

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.33
JAK2 O60674 6/20 0.33
TBK1 Q9UHD2 1/20 0.32
ATR Q13535 2/20 0.32
RET P07949 1/20 0.32
FLT3 P36888 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
CDK4 P11802 1/20 0.31
CDK2 P24941 1/20 0.31
GRM4 Q14833 1/20 0.30
ACVR1 Q04771 1/20 0.30

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
SCHEMBL3303474 0.90 SYK (0.34) SYKJAK2TBK1ATRRET
SCHEMBL3303763 0.89 PDE7A (0.34) SYKJAK2TBK1ATR
SCHEMBL3303644 0.89 JAK2 (0.34) SYKJAK2TBK1FLT3
SCHEMBL3303107 0.82 SYK (0.35) SYKJAK2TBK1ATRCYP4F2
SCHEMBL3304664 0.81 SYK (0.35) SYKJAK2TBK1FLT3
SCHEMBL3308099 0.77 SYK (0.35) SYKTBK1ATRRETCYP4F2
SCHEMBL3304084 0.77 PDE2A (0.35) SYKJAK2TBK1ATRACVR1
SCHEMBL14354089 0.74 JAK2 (0.36) SYKJAK2
SCHEMBL3301263 0.74 JAK2 (0.43) SYKJAK2TBK1ATRGRM4
SCHEMBL3304688 0.74 JAK2 (0.38) SYKJAK2GRM4

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 SYK 387/4885JAK2 26/4885TBK1 65/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 SYK 387/4885JAK2 26/4885TBK1 65/4885

“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.