SCHEMBL13732913

SCHEMBL13732913

Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4F)cc3)cn2n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TTK P33981 13/20 0.47
MAPK8 P45983 1/20 0.43
LCK P06239 1/20 0.41
AURKB Q96GD4 1/20 0.41
EIF2AK3 Q9NZJ5 1/20 0.41
PIK3CD O00329 3/20 0.39
PIK3CG P48736 3/20 0.39
PIK3CA P42336 2/20 0.39
BRD4 O60885 1/20 0.39
NTRK1 P04629 1/20 0.39
PIK3CB P42338 1/20 0.39

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
SCHEMBL12070691 0.85 TTK (0.61) TTK
SCHEMBL13731243 0.82 KLKB1 (0.46) TTK
SCHEMBL13731580 0.80 TTK (0.48) TTKAURKBPIK3CDPIK3CGPIK3CA
SCHEMBL1933562 0.79 TTK (0.62) TTKPIK3CDPIK3CG
SCHEMBL18896707 0.78 TTK (0.46) TTKPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL1932313 0.78 TTK (0.60) TTKPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL13731733 0.77 PIK3CD (0.51) TTKPIK3CDPIK3CGPIK3CA
SCHEMBL9998764 0.76 MET (0.48) TTK
SCHEMBL12068441 0.76 TTK (0.49) TTK
SCHEMBL9997048 0.75 PIK3CG (0.47) TTKPIK3CDPIK3CGPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699575-B1 TRIAZOLOPYRIDINES BAYER IP GMBH (DE) 2015-03-25 EP disclosed
EP-2699575-B1 TRIAZOLOPYRIDINES BAYER IP GMBH (DE) 2015-03-25 EP disclosed
US-20140120087-A1 TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-01 US disclosed
EP-2699575-A1 TRIAZOLOPYRIDINES Bayer Intellectual Property GmbH (DE) 2014-02-26 EP disclosed
WO-2012143329-A1 TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 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-20140120087-A1 TRIAZOLOPYRIDINES QDPR, TBXA2R, KCNJ11 TTK 2059/4885MAPK8 4300/4885LCK 2304/4885

“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.