SCHEMBL14850558

SCHEMBL14850558

CCC(Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2nc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.43
PIK3CG P48736 11/20 0.43
PIK3CA P42336 7/20 0.43
PIK3CB P42338 7/20 0.43
PIK3R1 P27986 4/20 0.43
PIK3R2 O00459 1/20 0.43
ABCB11 O95342 1/20 0.43
HTR1A P08908 1/20 0.43
PTGS1 P23219 1/20 0.43
OPRM1 P35372 1/20 0.43
PRKDC P78527 1/20 0.43
SLC6A3 Q01959 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3A Q14432 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.43
TACR3 P29371 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36

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
SCHEMBL14850557 0.91 PIK3CD (0.42) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL14850560 0.90 PIK3CG (0.42) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL24688296 0.78 PIK3CD (0.42) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL681832 0.78 PIK3CG (0.56) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL15960533 0.77 PIK3CD (0.36) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL14850562 0.77 PIK3CG (0.51) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL15597618 0.76 PIK3CD (0.49) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL15597551 0.76 PIK3CD (0.49) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL15960534 0.75 MAPK14 (0.36) PIK3CDPIK3CGOPRM1TACR3
SCHEMBL4173430 0.75 PIK3CG (0.55) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140235643-A1 NOVEL QUINOXALINE INHIBITORS OF PI3K GILEAD CALISTOGA LLC 2014-08-21 US disclosed
US-20140235643-A1 NOVEL QUINOXALINE INHIBITORS OF PI3K GILEAD CALISTOGA LLC 2014-08-21 US disclosed
WO-2013052699-A2 NOVEL QUINOXALINE INHIBITORS OF PI3K GILEAD CALISTOGA LLC (US) 2013-04-11 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-20140235643-A1 NOVEL QUINOXALINE INHIBITORS OF PI3K PIK3R5, PIK3CA, PIK3CD PIK3CD 3/4885PIK3CG 6/4885PIK3CA 2/4885

“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.