SCHEMBL1960045

SCHEMBL1960045

COc1ncc(-c2cc(NC(=O)c3csc(C)n3)c3cn[nH]c3c2)cc1N

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.77
PIK3CA P42336 12/20 0.61
PIK3CG P48736 7/20 0.61
PIK3CB P42338 6/20 0.61
PIM1 P11309 5/20 0.46
GSK3B P49841 5/20 0.46
MTOR P42345 3/20 0.37
AURKA O14965 1/20 0.36
TTK P33981 1/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL1956941 0.88 PIK3CD (0.71) PIK3CDPIK3CAPIK3CGPIK3CBPIM1
SCHEMBL12522521 0.88 PIK3CD (0.65) PIK3CDPIK3CAPIK3CGPIK3CBPIM1
SCHEMBL1772270 0.87 PIK3CD (1.00) PIK3CDPIK3CAPIK3CGPIK3CBPIM1
SCHEMBL1772268 0.86 PIK3CD (0.75) PIK3CDPIK3CAPIK3CGPIK3CBPIM1
SCHEMBL1118892 0.84 PIK3CD (0.84) PIK3CDPIK3CAPIK3CGPIK3CBPIM1
SCHEMBL457717 0.83 PIK3CD (0.68) PIK3CDPIK3CAPIK3CGPIK3CBPIM1
SCHEMBL1959680 0.83 PIK3CD (0.62) PIK3CDPIK3CAPIK3CGPIK3CBPIM1
SCHEMBL12971587 0.82 PIK3CD (0.77) PIK3CDPIK3CAPIK3CGPIK3CBPIM1
SCHEMBL1961432 0.82 PIK3CD (0.62) PIK3CDPIK3CAPIK3CGPIK3CBPIM1
SCHEMBL1958122 0.81 PIK3CD (0.65) PIK3CDPIK3CAPIK3CGPIK3CBPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507231-A1 INDAZOLE DERIVATIVES AS PI 3 - KINASE INHIBITORS Glaxo Group Limited (GB) 2012-10-10 EP claimed
WO-2011067366-A1 INDAZOLE DERIVATIVES AS PI 3 - KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-06-09 WO claimed
US-9949979-B2 Use of inhibitors of the activity or function of PI3K NOVARTIS AG (CH) 2018-04-24 US disclosed
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K NOVARTIS AG (CH) 2015-12-03 US disclosed
EP-2507231-A1 INDAZOLE DERIVATIVES AS PI 3 - KINASE INHIBITORS Glaxo Group Limited (GB) 2012-10-10 EP disclosed
US-20120238571-A1 INDAZOLE DERIVATIVES AS PI 3-KINASE GLAXO GROUP LIMITED (GB) 2012-09-20 US disclosed
US-20120238571-A1 INDAZOLE DERIVATIVES AS PI 3-KINASE GLAXO GROUP LIMITED (GB) 2012-09-20 US disclosed
US-20120238571-A1 INDAZOLE DERIVATIVES AS PI 3-KINASE GLAXO GROUP LIMITED (GB) 2012-09-20 US disclosed
WO-2011067366-A1 INDAZOLE DERIVATIVES AS PI 3 - KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-06-09 WO disclosed
WO-2011067366-A1 INDAZOLE DERIVATIVES AS PI 3 - KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-06-09 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-20120238571-A1 INDAZOLE DERIVATIVES AS PI 3-KINASE PI4KA, PIP4K2B, PI4KB PIK3CD 11/4885PIK3CA 12/4885PIK3CG 15/4885
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K TLR9, PIK3CD, PIK3R5 PIK3CD 2/4885PIK3CA 8/4885PIK3CG 4/4885

“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.