SCHEMBL17418062

SCHEMBL17418062

CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cc(Cl)ncc2Br)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.46
CHEK2 O96017 1/20 0.43
PIK3CD O00329 10/20 0.43
P2RX3 P56373 1/20 0.41
P2RX2 Q9UBL9 1/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
HPGDS O60760 1/20 0.40
UCHL1 P09936 1/20 0.39

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
SCHEMBL17418061 1.00 PDE4B (0.46) PDE4BCHEK2PIK3CDP2RX3P2RX2
SCHEMBL16094094 0.85 TAAR1 (0.38)
SCHEMBL18038778 0.80 PDE4B (0.46) PDE4BCHEK2PIK3CDPIK3CAPIK3CB
SCHEMBL24707472 0.79 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL38662418 0.79 PDE4B (0.49) PDE4BCHEK2PRMT5WDR77
SCHEMBL190408 0.79 CHEK2 (0.51) PDE4BCHEK2PIK3CDP2RX3P2RX2
SCHEMBL30044661 0.79 PIK3CD (0.46) PDE4BCHEK2PIK3CDPIK3CAPIK3CB
SCHEMBL23605477 0.79 PIK3CD (0.46) PDE4BCHEK2PIK3CDPIK3CAPIK3CB
SCHEMBL5366144 0.78 PDE4B (0.50) PDE4BCHEK2PIK3CDPRMT5WDR77
SCHEMBL5414961 0.78 PDE4B (0.50) PDE4BCHEK2PIK3CDPRMT5WDR77

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.