SCHEMBL1933402

SCHEMBL1933402

CC(=O)Nc1cccc(-c2ccc3nc(Nc4ccc(OC(F)(F)F)cc4)nn3c2)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.60
PIK3CG P48736 12/20 0.57
PIK3CD O00329 8/20 0.57
PIK3CA P42336 6/20 0.57
BRAF P15056 1/20 0.57
CHRNA7 P36544 1/20 0.51
FYN P06241 1/20 0.50
JAK1 P23458 1/20 0.48
LRRK2 Q5S007 2/20 0.48
JAK2 O60674 1/20 0.48
PIK3CB P42338 1/20 0.47
SYK P43405 1/20 0.46

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
SCHEMBL1933785 0.86 TTK (0.68) TTKPIK3CGPIK3CDPIK3CALRRK2
SCHEMBL1934192 0.83 TTK (0.64) TTKPIK3CGPIK3CDPIK3CALRRK2
SCHEMBL16306665 0.82 TTK (0.63) TTKPIK3CGPIK3CDPIK3CALRRK2
SCHEMBL1933195 0.82 TTK (0.74) TTKPIK3CGPIK3CDPIK3CALRRK2
SCHEMBL1932155 0.82 PIK3CG (0.70) TTKPIK3CGPIK3CDPIK3CAFYN
SCHEMBL3082694 0.82 PIK3CG (0.74) PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL3091846 0.82 PIK3CG (0.80) TTKPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL15455914 0.82 TTK (0.59) TTKPIK3CGPIK3CDPIK3CAJAK1
SCHEMBL2187962 0.81 PIK3CG (0.70) TTKPIK3CGPIK3CDPIK3CALRRK2
SCHEMBL12507204 0.79 PIK3CG (0.67) TTKPIK3CGPIK3CDPIK3CABRAF

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 13 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
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 3/4885PIK3CG 718/4885PIK3CD 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.