SCHEMBL936653

SCHEMBL936653

Nc1nc2ccc(-c3cccc(C(=O)O)c3)cn2n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 9/20 0.51
PIK3CD O00329 7/20 0.47
PIK3CA P42336 3/20 0.47
PIK3CB P42338 1/20 0.47
KMO O15229 2/20 0.46
TDP2 O95551 1/20 0.45
UCHL1 P09936 1/20 0.44
UCHL3 P15374 1/20 0.44
UCHL5 Q9Y5K5 1/20 0.44
TTK P33981 1/20 0.44
NR4A2 P43354 1/20 0.43
ALOX5AP P20292 1/20 0.43

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
SCHEMBL799223 0.88 PIK3CG (0.56) PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL1932766 0.85 PIK3CG (0.49) PIK3CGPIK3CDPIK3CAPIK3CBTTK
SCHEMBL16295121 0.83 ATR (0.45) KMOALOX5AP
SCHEMBL1933631 0.82 PIK3CG (0.47) PIK3CGPIK3CDPIK3CAPIK3CBTTK
SCHEMBL12970648 0.81 PIK3CG (0.54) PIK3CGPIK3CDPIK3CAPIK3CBTDP2
SCHEMBL938836 0.81 PIK3CG (0.48) PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL614711 0.80 RET (0.61) PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL1933524 0.80 PIK3CG (0.50) PIK3CGPIK3CDPIK3CAPIK3CBTDP2
SCHEMBL12554043 0.80 PIK3CG (0.53) PIK3CGPIK3CDPIK3CAPIK3CBTDP2
SCHEMBL12506780 0.80 TTK (0.57) PIK3CGPIK3CDPIK3CATDP2TTK

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222674-B1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LTD (GB) 2015-11-11 EP claimed
US-8865699-B2 Amino triazoles as PI3K inhibitors CELLZOME LTD. (GB) 2014-10-21 US claimed
US-20110021497-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2011-01-27 US claimed
EP-2222674-A1 AMINO TRIAZOLES AS PI3K INHIBITORS Cellzome Limited (GB) 2010-09-01 EP claimed
WO-2009068482-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2009-06-04 WO claimed
US-9676766-B2 Triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-13 US disclosed
US-9676766-B2 Triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-13 US disclosed
US-9676766-B2 Triazolopyridines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-13 US disclosed
EP-2222674-B1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LTD (GB) 2015-11-11 EP disclosed
EP-2222674-B1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LTD (GB) 2015-11-11 EP disclosed
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
WO-2011063908-A1 TRIAZOLOPYRIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-03 WO disclosed
WO-2011063908-A1 TRIAZOLOPYRIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-03 WO disclosed
US-20110021497-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2011-01-27 US disclosed
US-20110021497-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2011-01-27 US disclosed
US-20110021497-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2011-01-27 US disclosed
EP-2222674-A1 AMINO TRIAZOLES AS PI3K INHIBITORS Cellzome Limited (GB) 2010-09-01 EP disclosed
WO-2009068482-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2009-06-04 WO disclosed
WO-2009068482-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2009-06-04 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-20110021497-A1 AMINO TRIAZOLES AS PI3K INHIBITORS PIK3C3, PIK3R3, PIK3R5 PIK3CG 11/4885PIK3CD 6/4885PIK3CA 9/4885

“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.