SCHEMBL2186456

SCHEMBL2186456

COc1ccc(C#N)cc1Nc1nc2ccc(-c3cc(C)c(O)c(C)c3)cn2n1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TTK P33981 15/20 0.72
LRRK2 Q5S007 3/20 0.60
PIK3CD O00329 2/20 0.52
PIK3CA P42336 2/20 0.52
PIK3CG P48736 2/20 0.52
PIK3CB P42338 1/20 0.52
JAK2 O60674 1/20 0.47

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
SCHEMBL1933549 0.92 TTK (0.72) TTKLRRK2PIK3CDPIK3CAPIK3CG
SCHEMBL12506952 0.87 TTK (0.79) TTKLRRK2PIK3CDPIK3CAPIK3CG
SCHEMBL2187497 0.86 TTK (0.77) TTKLRRK2PIK3CDPIK3CAPIK3CG
SCHEMBL12553565 0.85 TTK (0.76) TTKLRRK2PIK3CDPIK3CAPIK3CG
SCHEMBL1932082 0.85 TTK (0.79) TTKLRRK2PIK3CDPIK3CAPIK3CG
SCHEMBL1933243 0.84 TTK (1.00) TTKLRRK2PIK3CDPIK3CAPIK3CG
SCHEMBL1934390 0.83 TTK (1.00) TTKLRRK2PIK3CDPIK3CAPIK3CG
SCHEMBL12507202 0.81 TTK (0.79) TTKLRRK2PIK3CDPIK3CAPIK3CG
SCHEMBL2185756 0.80 TTK (0.77) TTKLRRK2PIK3CDPIK3CAPIK3CG
SCHEMBL12553755 0.79 TTK (0.76) TTKLRRK2PIK3CDPIK3CAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507236-B1 Triazolopyridine derivates BAYER IP GMBH (DE) 2014-12-17 EP claimed
US-20130121994-A1 TRIAZOLOPYRIDINE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 US claimed
EP-2343295-A1 Triazolopyridine derivates Bayer Schering Pharma AG (DE) 2011-07-13 EP claimed
EP-2507236-B1 Triazolopyridine derivates BAYER IP GMBH (DE) 2014-12-17 EP disclosed
EP-2507236-B1 Triazolopyridine derivates BAYER IP GMBH (DE) 2014-12-17 EP disclosed
US-20130121994-A1 TRIAZOLOPYRIDINE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 US disclosed
US-20130121994-A1 TRIAZOLOPYRIDINE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 US disclosed
US-20130121994-A1 TRIAZOLOPYRIDINE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 US disclosed
EP-2343295-A1 Triazolopyridine derivates Bayer Schering Pharma AG (DE) 2011-07-13 EP disclosed
EP-2343295-A1 Triazolopyridine derivates Bayer Schering Pharma AG (DE) 2011-07-13 EP 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-20130121994-A1 TRIAZOLOPYRIDINE DERIVATIVES TTBK1, BUB1, TTK TTK 3/4885LRRK2 1012/4885PIK3CD 430/4885

“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.