SCHEMBL16583221

SCHEMBL16583221

CCC(NC(=O)O)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.51
PIK3CG P48736 9/20 0.47
PIK3R2 O00459 4/20 0.47
PIK3CB P42338 6/20 0.45
PIK3CA P42336 4/20 0.45
PIK3R1 P27986 2/20 0.44
ABCB11 O95342 1/20 0.44
HTR1A P08908 1/20 0.44
PTGS1 P23219 1/20 0.44
OPRM1 P35372 1/20 0.44
PRKDC P78527 1/20 0.44
SLC6A3 Q01959 1/20 0.44
PDE4D Q08499 1/20 0.44
PDE3A Q14432 1/20 0.44
PIK3C3 Q8NEB9 1/20 0.44

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
SCHEMBL16583322 0.91 PIK3CD (0.47) PIK3CDPIK3CGPIK3R2PIK3CBPIK3CA
SCHEMBL16292640 0.88 PIK3CD (0.65) PIK3CDPIK3CGPIK3R2PIK3CBPIK3CA
SCHEMBL16583229 0.88 PIK3CD (0.56) PIK3CDPIK3CGPIK3R2PIK3CBPIK3CA
SCHEMBL21980341 0.88 PIK3CD (0.56) PIK3CDPIK3CGPIK3R2PIK3CBPIK3CA
SCHEMBL16583499 0.86 PIK3CD (0.58) PIK3CDPIK3CGPIK3R2PIK3CBPIK3CA
SCHEMBL16583278 0.86 L3MBTL1 (0.46) PIK3CD
SCHEMBL16583405 0.85 PIK3R2 (0.55) PIK3CDPIK3CGPIK3R2PIK3CBPIK3CA
SCHEMBL17892695 0.84 PIK3CG (0.61) PIK3CDPIK3CGPIK3R2PIK3CBPIK3CA
SCHEMBL16583324 0.84 PIK3CG (0.61) PIK3CDPIK3CGPIK3R2PIK3CBPIK3CA
SCHEMBL16583227 0.83 PIK3CD (0.52) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3046563-B1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AS PI3-KINASE INHIBITORS CALITOR SCIENCES LLC (US) 2019-05-29 EP disclosed
US-9670194-B2 Substituted aminopyrimidine compounds and methods of use CALITOR SCIENCES, LLC (US) 2017-06-06 US disclosed
EP-3046563-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Calitor Sciences, LLC (US) 2016-07-27 EP disclosed
US-20150087663-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-03-26 US disclosed
WO-2015042077-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-03-26 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-20150087663-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MYD88 PIK3CD 2/4885PIK3CG 5/4885PIK3R2 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.