SCHEMBL2789959

SCHEMBL2789959

COc1cc(-c2ccc3nc(NC(=O)c4ccc(CN(C)C)cc4)nn3c2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 7/20 0.56
▸ PIK3CD O00329 4/20 0.56
▸ PIK3CA P42336 3/20 0.56
▸ TTK P33981 7/20 0.52
▸ DAPK1 P53355 1/20 0.45
▸ PIK3CB P42338 1/20 0.44
▸ MMP9 P14780 1/20 0.43
▸ FYN P06241 1/20 0.42
▸ WNT1 P04628 1/20 0.42
▸ CLK2 P49760 1/20 0.42
▸ CLK3 P49761 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42

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
SCHEMBL12317195 0.86 TTK (0.69) PIK3CGPIK3CDPIK3CATTKPIK3CB
Hydrochloric Acid SCHEMBL2787457 0.85 TTK (0.68) PIK3CGPIK3CDPIK3CATTKPIK3CB
SCHEMBL2772067 0.84 PIK3CG (0.52) PIK3CGPIK3CDPIK3CATTK
SCHEMBL2789617 0.82 PIK3CG (0.50) PIK3CGPIK3CDPIK3CATTK
SCHEMBL2789787 0.82 PIK3CG (0.57) PIK3CGPIK3CDPIK3CATTKPIK3CB
SCHEMBL2789537 0.81 PIK3CG (0.83) PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL12456320 0.80 PIK3CG (0.57) PIK3CGPIK3CDPIK3CATTK
Hydrochloric Acid SCHEMBL2791322 0.79 PIK3CG (0.56) PIK3CGPIK3CDPIK3CATTK
SCHEMBL3094926 0.78 PIK3CG (0.61) PIK3CGPIK3CDPIK3CATTKPIK3CB
SCHEMBL3093891 0.72 PIK3CG (0.83) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MERCK SERONO SA (CH) 2010-08-05 — — US claimed
EP-2181112-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS Merck Serono S.A. (CH) 2010-05-05 — — EP claimed
WO-2009027283-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO S.A. (CH) 2009-03-05 — — WO claimed
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO SA (CH) 2012-09-20 — — US disclosed
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO SA (CH) 2012-09-20 — — US disclosed
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO SA (CH) 2012-09-20 — — US disclosed
US-8263595-B2 Triazolopyridine compounds and their use as ask inhibitors MERCK SERONO SA (CH) 2012-09-11 — — US disclosed
US-8263595-B2 Triazolopyridine compounds and their use as ask inhibitors MERCK SERONO SA (CH) 2012-09-11 — — US disclosed
US-8263595-B2 Triazolopyridine compounds and their use as ask inhibitors MERCK SERONO SA (CH) 2012-09-11 — — US disclosed
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MERCK SERONO SA (CH) 2010-08-05 — — US disclosed
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MERCK SERONO SA (CH) 2010-08-05 — — US disclosed
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MERCK SERONO SA (CH) 2010-08-05 — — US disclosed
EP-2181112-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS Merck Serono S.A. (CH) 2010-05-05 — — EP disclosed
WO-2009027283-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO S.A. (CH) 2009-03-05 — — WO disclosed
WO-2009027283-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO S.A. (CH) 2009-03-05 — — 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 (2 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-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MAP3K5, MAPKAPK5, MAP3K9 PIK3CG 1911/4885PIK3CD 1624/4885PIK3CA 2187/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 PIK3CG 1911/4885PIK3CD 1624/4885PIK3CA 2187/4885

“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.

Send feedback