SCHEMBL470147

SCHEMBL470147

Cc1nc(C(=O)Nc2cc(-c3cnc4[nH]ncc4c3)cc3[nH]nc(F)c23)c(C)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 3/20 0.37
SSTR2 P30874 1/20 0.37
BACE1 P56817 4/20 0.34
POLQ O75417 1/20 0.34
GPR6 P46095 1/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
PIK3CD O00329 3/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
PIK3CA P42336 2/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CG P48736 2/20 0.32
ATR Q13535 1/20 0.31
ABL1 P00519 1/20 0.31
BTK Q06187 1/20 0.31
ITK Q08881 1/20 0.31
PIK3R1 P27986 1/20 0.31
MTOR P42345 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL457168 0.84 PIK3CD (0.45) PIK3C3SSTR2POLQPIK3CDPIK3CA
SCHEMBL456978 0.79 PIK3C3 (0.39) PIK3C3BACE1PIK3CDACACBACACA
SCHEMBL461879 0.78 PIK3C3 (0.34) PIK3C3BTK
SCHEMBL457112 0.76 PIK3CD (0.45) SSTR2BACE1PIK3CDPIK3CAPIK3CB
SCHEMBL456810 0.76 SSTR2 (0.35) SSTR2BACE1GPR6PIK3CDPIK3CA
SCHEMBL1960815 0.73 ROCK2 (0.43) PIK3CD
SCHEMBL12577375 0.73 PIK3C3 (0.37) PIK3C3POLQPIK3CDPIK3CAPIK3CB
SCHEMBL458944 0.66 PIK3CD (0.49) SSTR2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL458973 0.64 PIK3CD (0.44) PIK3C3SSTR2PIK3CDPIK3CAPIK3CB
SCHEMBL2214454 0.63 PIK3CD (0.65) BACE1PIK3CDPIK3CAPIK3CBPIK3CG

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-2507226-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2012-10-10 EP claimed
US-20120238571-A1 INDAZOLE DERIVATIVES AS PI 3-KINASE GLAXO GROUP LIMITED (GB) 2012-09-20 US claimed
US-20120238559-A1 NOVEL COMPOUNDS 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
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-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 PIK3C3 4369/4885SSTR2 3366/4885BACE1 1493/4885
US-20120238559-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B PIK3C3 16/4885SSTR2 2154/4885BACE1 1253/4885
US-20120238571-A1 INDAZOLE DERIVATIVES AS PI 3-KINASE PI4KA, PIP4K2B, PI4KB PIK3C3 19/4885SSTR2 3200/4885BACE1 2022/4885

“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.