SCHEMBL12070697

SCHEMBL12070697

CC(C)(C)OC(=O)Nc1ccc(-c2ccc3nc(N)nn3c2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.51
TTK P33981 1/20 0.46
PIK3CG P48736 12/20 0.44
PIK3CD O00329 10/20 0.44
PIK3CA P42336 9/20 0.44
PIK3CB P42338 3/20 0.44
AAK1 Q2M2I8 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
KDR P35968 1/20 0.38
BACE1 P56817 1/20 0.38
PRKDC P78527 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
EGLN2 Q96KS0 1/20 0.37
MAP4K4 O95819 1/20 0.37
KIF11 P52732 1/20 0.37

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
SCHEMBL14060824 0.84 PIK3CG (0.44) TTKPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL12506777 0.83 TTK (0.60) CYP17A1TTKPIK3CGPIK3CDPIK3CA
SCHEMBL12507038 0.82 PIK3CG (0.51) CYP17A1TTKPIK3CGPIK3CDPIK3CA
SCHEMBL13636152 0.80 KDR (0.47) CYP17A1TTKPIK3CGPIK3CDPIK3CA
SCHEMBL12068441 0.77 TTK (0.49) TTK
SCHEMBL13636141 0.75 KDR (0.52) TTKAAK1ABL1KDR
SCHEMBL1932107 0.74 PIK3CG (0.47) TTKPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL13636158 0.74 KDR (0.41) TTKPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL12909576 0.73 PIK3CG (0.50) PIK3CGPIK3CDPIK3CAPIK3CBDYRK1A
SCHEMBL1933358 0.73 PIK3CG (0.46) PIK3CGPIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9555022-B2 Substituted triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-31 US disclosed
US-20130156756-A1 Substituted Triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 US disclosed
WO-2012160029-A1 SUBSTITUTED TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-29 WO disclosed
WO-2011157688-A1 SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-22 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-20130156756-A1 Substituted Triazolopyridines CCND2, CCND1, QDPR CYP17A1 3514/4885TTK 791/4885PIK3CG 1972/4885

“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.