SCHEMBL1931983

SCHEMBL1931983

Nc1nc2ccc(-c3ccc(C(=O)NCCC(F)(F)F)cc3)cn2n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.42
TTK P33981 2/20 0.41
PIK3CG P48736 8/20 0.40
PIK3CD O00329 6/20 0.40
PIK3CA P42336 6/20 0.40
PIK3CB P42338 2/20 0.40
MLYCD O95822 1/20 0.38
HDAC4 P56524 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
MCHR1 Q99705 1/20 0.37
HDAC1 Q13547 1/20 0.36

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
SCHEMBL1932101 0.89 JAK2 (0.44) TTKPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL12553724 0.82 PIK3CG (0.46) TTKPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL1934185 0.80 PIK3CG (0.46) TTKPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL9996745 0.79 TTK (0.51) TTKPIK3CGPIK3CDHDAC4HDAC6
SCHEMBL9996867 0.79 PIK3CA (0.54) TTKPIK3CGPIK3CAHDAC4HDAC6
SCHEMBL9997114 0.79 TTK (0.62) TTKPIK3CGPIK3CDHDAC4HDAC6
SCHEMBL1933524 0.78 PIK3CG (0.50) TTKPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL12068444 0.77 PIK3CA (0.50) TTKPIK3CGPIK3CAMLYCDHDAC4
SCHEMBL9996848 0.77 TTK (0.51) TTKPIK3CGPIK3CDPIK3CAMCHR1
SCHEMBL9996887 0.77 TTK (0.51) TTKHDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2507236-A1 TRIAZOLOPYRIDINE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2012-10-10 EP disclosed
WO-2011064328-A1 TRIAZOLOPYRIDINE DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-03 WO 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 CFTR 2791/4885TTK 3/4885PIK3CG 718/4885

“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.