SCHEMBL17418065

SCHEMBL17418065

CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cc3nncn3cc2Br)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.43
CHEK2 O96017 1/20 0.41
PIK3CD O00329 5/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
PIK3CA P42336 2/20 0.38
PIK3CB P42338 2/20 0.38
PIK3CG P48736 2/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
USP30 Q70CQ3 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL17418064 1.00 PDE4B (0.43) PDE4BCHEK2PIK3CDJAK2JAK1
SCHEMBL16100427 0.89 PDE4B (0.45) PDE4BCHEK2PIK3CDJAK2JAK1
SCHEMBL16100429 0.89 PDE4B (0.45) PDE4BCHEK2PIK3CDJAK2JAK1
SCHEMBL16119844 0.78 GPR119 (0.41) CHEK2JAK2JAK1
SCHEMBL38661508 0.77 PDE4B (0.48) PDE4BCHEK2PIK3CDPRMT5WDR77
SCHEMBL17418092 0.77 PDE4B (0.44) PDE4BCHEK2PIK3CDJAK2JAK1
SCHEMBL17418090 0.77 PDE4B (0.44) PDE4BCHEK2PIK3CDJAK2JAK1
SCHEMBL17418062 0.77 PDE4B (0.46) PDE4BCHEK2PIK3CDPIK3CAPIK3CB
SCHEMBL17418061 0.77 PDE4B (0.46) PDE4BCHEK2PIK3CDPIK3CAPIK3CB
SCHEMBL5366144 0.75 PDE4B (0.50) PDE4BCHEK2PIK3CDJAK2JAK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550775-B2 Substituted triazolopyridines and methods of use thereof GENENTECH, INC. (US) 2017-01-24 US disclosed
US-9550775-B2 Substituted triazolopyridines and methods of use thereof GENENTECH, INC. (US) 2017-01-24 US disclosed
US-9550775-B2 Substituted triazolopyridines and methods of use thereof GENENTECH, INC. (US) 2017-01-24 US disclosed
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2016-01-14 US disclosed
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2016-01-14 US disclosed
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2016-01-14 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 (1 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-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF P2RX3, P2RX1, P2RX4 PDE4B 658/4885CHEK2 3883/4885PIK3CD 2144/4885

“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.