SCHEMBL1933006

SCHEMBL1933006

CCOc1ccccc1Nc1nc2ccc(-c3cc(C)c(O)c(C)c3)cn2n1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TTK P33981 13/20 0.79
LRRK2 Q5S007 3/20 0.73
JAK2 O60674 1/20 0.55
PIK3CD O00329 1/20 0.54
PIK3CA P42336 1/20 0.54
PIK3CB P42338 1/20 0.54
PIK3CG P48736 1/20 0.54
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL1933243 0.89 TTK (1.00) TTKLRRK2JAK2PIK3CDPIK3CA
SCHEMBL1934237 0.85 TTK (0.78) TTKLRRK2JAK2PIK3CDPIK3CA
SCHEMBL12506767 0.82 LRRK2 (0.81) TTKLRRK2JAK2PIK3CDPIK3CA
SCHEMBL1933136 0.80 TTK (0.69) TTKLRRK2PIK3CDPIK3CAPIK3CB
SCHEMBL12507202 0.79 TTK (0.79) TTKLRRK2JAK2PIK3CDPIK3CA
SCHEMBL1932188 0.79 TTK (1.00) TTKLRRK2JAK2PIK3CDPIK3CA
SCHEMBL2185756 0.78 TTK (0.77) TTKLRRK2JAK2PIK3CDPIK3CA
SCHEMBL12553755 0.78 TTK (0.76) TTKLRRK2JAK2PIK3CDPIK3CA
SCHEMBL1932082 0.78 TTK (0.79) TTKLRRK2JAK2PIK3CDPIK3CA
SCHEMBL1933539 0.78 TTK (0.73) TTKLRRK2JAK2PIK3CDPIK3CA

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 12 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-2507236-A1 TRIAZOLOPYRIDINE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2012-10-10 EP claimed
EP-2343295-A1 Triazolopyridine derivates Bayer Schering Pharma AG (DE) 2011-07-13 EP claimed
WO-2011064328-A1 TRIAZOLOPYRIDINE DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-03 WO 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
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
WO-2011064328-A1 TRIAZOLOPYRIDINE DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-03 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-20130121994-A1 TRIAZOLOPYRIDINE DERIVATIVES TTBK1, BUB1, TTK TTK 3/4885LRRK2 1012/4885JAK2 926/4885

“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.