SCHEMBL1933346

SCHEMBL1933346

Cc1cc(-c2ccc3nc(Nc4ccc(S(C)(=O)=O)cc4)nn3c2)cc(C)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TTK P33981 9/20 1.00
LRRK2 Q5S007 3/20 0.72
JAK2 O60674 5/20 0.63
JAK3 P52333 4/20 0.63
PTK2 Q05397 4/20 0.63
PIK3CG P48736 4/20 0.60
PIK3CD O00329 3/20 0.60
PIK3CA P42336 2/20 0.60
PIK3CB P42338 1/20 0.60

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
SCHEMBL12506766 0.83 LRRK2 (0.73) TTKLRRK2JAK2JAK3PTK2
SCHEMBL12506953 0.83 LRRK2 (0.72) TTKLRRK2JAK2JAK3PTK2
SCHEMBL1932320 0.82 LRRK2 (0.71) TTKLRRK2JAK2JAK3PTK2
SCHEMBL1934390 0.81 TTK (1.00) TTKLRRK2JAK2JAK3PTK2
SCHEMBL612713 0.81 TTK (0.67) TTKLRRK2JAK2JAK3PTK2
SCHEMBL1932155 0.80 PIK3CG (0.70) TTKLRRK2JAK2JAK3PTK2
SCHEMBL1932804 0.80 LRRK2 (0.74) TTKLRRK2JAK2PIK3CGPIK3CD
SCHEMBL2185594 0.78 LRRK2 (0.79) TTKLRRK2JAK2PIK3CGPIK3CD
SCHEMBL3770502 0.77 JAK3 (1.00) TTKJAK2JAK3PTK2
SCHEMBL2634851 0.77 JAK2 (1.00) TTKJAK2JAK3PTK2

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-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
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

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.