SCHEMBL16099451

SCHEMBL16099451

CC(C)(C)OC(=O)c1cc2nncn2cc1Br

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 6/20 0.34
SCN5A Q14524 1/20 0.33
MAOB P27338 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA6 Q16445 1/20 0.31
MLLT3 P42568 2/20 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
SCHEMBL16099961 0.81 HPGD (0.33) MLLT1MAOB
SCHEMBL13171452 0.73 CA12 (0.39) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL17418065 0.69 PDE4B (0.43)
SCHEMBL20713369 0.69 MLLT1 (0.38) MLLT1SCN5A
SCHEMBL31103867 0.69 MLLT1 (0.42) MLLT1MAOB
SCHEMBL25346304 0.68 SUV39H2 (0.36)
SCHEMBL38661052 0.68 SUV39H2 (0.39) MLLT1
SCHEMBL22123559 0.67 MLLT1 (0.49) MLLT1MAOBMLLT3
SCHEMBL7860222 0.66 PTPN2 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL25574561 0.66 ESR2 (0.55)

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 9 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
EP-2968280-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF Genentech, Inc. (US) 2016-01-20 EP 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
WO-2014153037-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-09-25 WO disclosed
WO-2014153037-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-09-25 WO 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 MLLT1 1740/4885SCN5A 425/4885MAOB 817/4885

“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.