SCHEMBL1773103

SCHEMBL1773103

C[C@@H]1CN(Cc2nc(C(=O)Nc3cc(-c4cnc(Cl)c(NS(C)(=O)=O)c4)cc4[nH]ncc34)cs2)C[C@H](C)O1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.56
PIK3CA P42336 13/20 0.56
PIK3CG P48736 12/20 0.56
PIK3CB P42338 12/20 0.56
PIK3R2 O00459 1/20 0.51
PIK3R1 P27986 6/20 0.41
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
TYK2 P29597 2/20 0.39
JAK3 P52333 2/20 0.39
PIM1 P11309 2/20 0.38
GSK3B P49841 2/20 0.38

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
SCHEMBL1771530 0.91 PIK3CD (0.69) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2
Formic Acid SCHEMBL1771744 0.89 PIK3CD (0.66) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2
SCHEMBL1772495 0.89 PIK3CD (0.57) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2
SCHEMBL1771539 0.89 PIK3CD (0.58) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2
SCHEMBL13578050 0.88 PIK3CD (0.47) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2
SCHEMBL2215066 0.88 PIK3CD (0.47) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2
SCHEMBL1120179 0.87 PIK3CD (0.53) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2
SCHEMBL1771177 0.87 PIK3CD (0.56) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2
Formic Acid SCHEMBL1771126 0.86 PIK3CD (0.55) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2
SCHEMBL1771692 0.86 PIK3CD (0.51) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280946-B1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LTD (GB) 2016-02-10 EP claimed
US-8163743-B2 4-carboxamide indazole derivatives useful as inhibitors of PI3-kinases GlaxoGroupLimited (GB) 2012-04-24 US claimed
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2011-05-12 US claimed
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 US disclosed
EP-2280946-B1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LTD (GB) 2016-02-10 EP disclosed
EP-2280946-B1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LTD (GB) 2016-02-10 EP disclosed
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US disclosed
US-8163743-B2 4-carboxamide indazole derivatives useful as inhibitors of PI3-kinases GlaxoGroupLimited (GB) 2012-04-24 US disclosed
US-8163743-B2 4-carboxamide indazole derivatives useful as inhibitors of PI3-kinases GlaxoGroupLimited (GB) 2012-04-24 US disclosed
US-8163743-B2 4-carboxamide indazole derivatives useful as inhibitors of PI3-kinases GlaxoGroupLimited (GB) 2012-04-24 US disclosed
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2011-05-12 US disclosed
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2011-05-12 US disclosed
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2011-05-12 US 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-20130165433-A1 Novel Use HAVCR2, MAVS, ENTPD5 PIK3CD 2938/4885PIK3CA 2691/4885PIK3CG 2718/4885
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES CDK3, CDK13, MAP3K13 PIK3CD 111/4885PIK3CA 64/4885PIK3CG 181/4885

“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.