SCHEMBL457400

SCHEMBL457400

Cc1cc2c(-c3cc(NC(=O)c4csc(C)n4)c4c(F)n[nH]c4c3)ccnc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.41
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ TLR7 Q9NYK1 3/20 0.39
▸ CIT O14578 5/20 0.37
▸ IKBKB O14920 6/20 0.36
▸ CHUK O15111 6/20 0.36
▸ PIK3C3 Q8NEB9 2/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ AURKAIP1 Q9NWT8 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ GRM7 Q14831 1/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.34
▸ HIPK4 Q8NE63 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ BMP2K Q9NSY1 1/20 0.34

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
SCHEMBL2214455 0.84 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGTLR7
SCHEMBL2214182 0.81 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGTLR7
SCHEMBL2213394 0.79 PIK3CD (0.39) PIK3CDPIK3CAPIK3CBPIK3CGTLR7
SCHEMBL2214706 0.76 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGTLR7
SCHEMBL2214056 0.73 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGCIT
SCHEMBL459229 0.72 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBPIK3CGTLR7
SCHEMBL2214075 0.71 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGTLR7
SCHEMBL456678 0.69 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGCIT
SCHEMBL1772461 0.67 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBPIK3CGTLR7
SCHEMBL459157 0.67 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507226-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2012-10-10 — — EP claimed
US-20120238559-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-09-20 — — US claimed
US-20120238571-A1 INDAZOLE DERIVATIVES AS PI 3-KINASE GLAXO GROUP LIMITED (GB) 2012-09-20 — — US claimed
WO-2011067364-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-06-09 — — WO claimed
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 — — US disclosed
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 — — US disclosed
EP-2613781-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-17 — — EP disclosed
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 — — US disclosed
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 — — US disclosed
EP-2507226-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2012-10-10 — — EP disclosed
US-20120238559-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-09-20 — — US disclosed
US-20120238559-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-09-20 — — US disclosed
WO-2012032065-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GLAXO GROUP LIMITED (GB) 2012-03-15 — — WO disclosed
WO-2012032065-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GLAXO GROUP LIMITED (GB) 2012-03-15 — — WO disclosed
WO-2011067364-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-06-09 — — WO disclosed
WO-2011067364-A1 NOVEL COMPOUNDS 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 (3 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 2691/4885PIK3CB 1706/4885
US-20120238559-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B PIK3CD 2/4885PIK3CA 1/4885PIK3CB 4/4885
US-20120238571-A1 INDAZOLE DERIVATIVES AS PI 3-KINASE PI4KA, PIP4K2B, PI4KB PIK3CD 11/4885PIK3CA 12/4885PIK3CB 13/4885

“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.

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