SCHEMBL3303474

SCHEMBL3303474

Cc1nn(C2CCCCO2)c2cc(Nc3nc4ccnc(CC(C)C(=O)O)n4n3)ccc12

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.34
TBK1 Q9UHD2 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
JAK2 O60674 3/20 0.32
ATR Q13535 3/20 0.31
RET P07949 1/20 0.31
P2RX3 P56373 3/20 0.31
FLT3 P36888 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
BRAF P15056 1/20 0.30
CDK4 P11802 1/20 0.30
CDK2 P24941 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
SCHEMBL3303763 0.93 PDE7A (0.34) SYKTBK1JAK2ATRP2RX3
SCHEMBL3303306 0.90 SYK (0.33) SYKTBK1JAK2ATRRET
SCHEMBL3304664 0.90 SYK (0.35) SYKTBK1RXRARXRBRXRG
SCHEMBL3303644 0.82 JAK2 (0.34) SYKTBK1JAK2FLT3
SCHEMBL3303107 0.80 SYK (0.35) SYKTBK1JAK2ATRCYP4F2
SCHEMBL3304084 0.78 PDE2A (0.35) SYKTBK1JAK2ATRBRAF
SCHEMBL3308099 0.77 SYK (0.35) SYKTBK1RXRARXRBRXRG
SCHEMBL14354089 0.75 JAK2 (0.36) SYKJAK2
SCHEMBL3301263 0.74 JAK2 (0.43) SYKTBK1JAK2ATR
SCHEMBL3300159 0.73 JAK2 (0.40) RXRAJAK2

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 387/4885TBK1 65/4885RXRA 1719/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 SYK 387/4885TBK1 65/4885RXRA 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.