SCHEMBL3304664

SCHEMBL3304664

Cc1nn(C2CCCCO2)c2cc(Nc3nc4cccc(CC(C)C(=O)O)n4n3)ccc12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.35
JAK2 O60674 12/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
P2RX3 P56373 2/20 0.32
TBK1 Q9UHD2 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 6/20 0.32
PTK2 Q05397 6/20 0.32
DGAT2 Q96PD7 1/20 0.32
FLT3 P36888 1/20 0.32

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
SCHEMBL3303644 0.91 JAK2 (0.34) SYKJAK2TBK1JAK1JAK3
SCHEMBL3303474 0.90 SYK (0.34) SYKJAK2RXRARXRBRXRG
SCHEMBL3303763 0.82 PDE7A (0.34) SYKJAK2P2RX3TBK1JAK1
SCHEMBL3303306 0.81 SYK (0.33) SYKJAK2TBK1FLT3
SCHEMBL3301263 0.78 JAK2 (0.43) SYKJAK2TBK1JAK3PTK2
SCHEMBL3303107 0.77 SYK (0.35) SYKJAK2TBK1
SCHEMBL14354089 0.76 JAK2 (0.36) SYKJAK2JAK1JAK3DGAT2
SCHEMBL3308099 0.76 SYK (0.35) SYKRXRARXRBRXRGTBK1
SCHEMBL3304084 0.74 PDE2A (0.35) SYKJAK2TBK1DGAT2
SCHEMBL22980700 0.73 GAA (0.40) SYKRXRARXRBRXRGDGAT2

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 26/4885RXRA 1719/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 SYK 387/4885JAK2 26/4885RXRA 1719/4885

“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.