SCHEMBL3303763

SCHEMBL3303763

COC(=O)C(C)Cc1nccc2nc(Nc3ccc4c(C)nn(C5CCCCO5)c4c3)nn12

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 3/20 0.34
SYK P43405 1/20 0.34
ATR Q13535 2/20 0.32
TBK1 Q9UHD2 1/20 0.32
JAK2 O60674 5/20 0.32
P2RX3 P56373 5/20 0.32
DYRK1A Q13627 1/20 0.32
BRAF P15056 1/20 0.32
JAK1 P23458 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
SCHEMBL3303474 0.93 SYK (0.34) SYKATRTBK1JAK2P2RX3
SCHEMBL3303306 0.89 SYK (0.33) SYKATRTBK1JAK2
SCHEMBL3304664 0.82 SYK (0.35) SYKTBK1JAK2P2RX3JAK1
SCHEMBL3303644 0.79 JAK2 (0.34) SYKTBK1JAK2JAK1
SCHEMBL3304084 0.79 PDE2A (0.35) PDE7ASYKATRTBK1JAK2
SCHEMBL3303107 0.79 SYK (0.35) SYKATRTBK1JAK2
SCHEMBL14354089 0.77 JAK2 (0.36) SYKJAK2JAK1
SCHEMBL3308099 0.76 SYK (0.35) PDE7ASYKATRTBK1
SCHEMBL3304401 0.73 JAK2 (0.41) JAK2JAK1
SCHEMBL3301263 0.72 JAK2 (0.43) PDE7ASYKATRTBK1JAK2

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 PDE7A 2773/4885SYK 387/4885ATR 107/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 PDE7A 2773/4885SYK 387/4885ATR 107/4885

“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.