SCHEMBL368719

SCHEMBL368719

CN(C)CCNC(=O)c1nc(-c2cc(F)cc3[nH]ccc23)cc(N2CCOCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATR Q13535 9/20 0.48
PIK3CB P42338 7/20 0.44
PIK3CD O00329 5/20 0.44
PIK3CA P42336 5/20 0.44
PIK3CG P48736 4/20 0.44
MTOR P42345 1/20 0.44
CYP3A4 P08684 1/20 0.42
PIK3R1 P27986 1/20 0.41
KMT2A Q03164 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41

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
SCHEMBL3603561 0.83 ATR (0.47) ATRPIK3CDPIK3CAMTORCYP3A4
SCHEMBL3258608 0.83 ATR (0.54) ATRPIK3CDCYP3A4PDCD1CD274
SCHEMBL3588242 0.82 ATR (0.53) ATRPIK3CDCYP3A4PDCD1CD274
SCHEMBL3609335 0.82 ATR (0.48) ATRPIK3CDPIK3CAMTORCYP3A4
SCHEMBL3609331 0.82 ATR (0.47) ATRPIK3CAMTORPDCD1CD274
SCHEMBL3603991 0.80 ATR (0.49) ATRPIK3CDPIK3CAMTORCYP3A4
SCHEMBL1027578 0.79 AKT1 (0.46) ATRPIK3CBPIK3CAPIK3CGMTOR
SCHEMBL12955292 0.79 TDO2 (0.42)
SCHEMBL17309137 0.77 ATR (0.57) ATRPIK3CDPIK3CAMTORPDCD1
SCHEMBL1028748 0.76 PIK3CB (0.49) PIK3CBPIK3CDPIK3CAPIK3CGMTOR

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
US-20130116267-A1 Role of PI3K P110 Delta Signaling in Retroviral Infection and Replication NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2013-05-09 US claimed
WO-2012009452-A1 THE ROLE OF P13K P110 DELTA SIGNALING IN RETROVIRAL INFECTION AND REPLICATION PHILADELPHIA HEALTH & EDUCATION CORPORATION (US) 2012-01-19 WO claimed
EP-2150546-B1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE HOFFMANN LA ROCHE (CH) 2011-01-19 EP claimed
US-20130116267-A1 Role of PI3K P110 Delta Signaling in Retroviral Infection and Replication NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2013-05-09 US disclosed
US-20130116267-A1 Role of PI3K P110 Delta Signaling in Retroviral Infection and Replication NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2013-05-09 US disclosed
US-20120184519-A1 Compositions and Methods for Preventing or Treating Influenza Virus Infection THE BABRAHAM INSTITUTE 2012-07-19 US disclosed
US-20110135655-A1 Role of PI3K p110 delta Signaling in Retroviral Infection and Replication PHILADELPHIA HEALTH AND EDUCATION CORPORATION d/b/a Drexel University College of Medicine; 2011-06-09 US disclosed
EP-2150546-B1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE HOFFMANN LA ROCHE (CH) 2011-01-19 EP disclosed
US-20100130496-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-05-27 US disclosed
US-20100130496-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-05-27 US disclosed
EP-2150546-A2 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE F. Hoffmann-Roche AG (CH) 2010-02-10 EP disclosed
WO-2008125839-A2 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE PIRAMED LIMITED (GB) 2008-10-23 WO disclosed
WO-2008125839-A2 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE PIRAMED LIMITED (GB) 2008-10-23 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 (4 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-20110135655-A1 Role of PI3K p110 delta Signaling in Retroviral Infection and Replication PIK3R5, PIK3R4, PIK3R1 ATR 1257/4885PIK3CB 11/4885PIK3CD 5/4885
US-20120184519-A1 Compositions and Methods for Preventing or Treating Influenza Virus Infection PIK3R5, PIK3C2A, PIK3C2B ATR 1974/4885PIK3CB 10/4885PIK3CD 6/4885
US-20100130496-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE PIK3CA, PIP5K1B, PIK3CD ATR 453/4885PIK3CB 5/4885PIK3CD 3/4885
US-20130116267-A1 Role of PI3K P110 Delta Signaling in Retroviral Infection and Replication PIK3R5, PIK3R4, PIK3R3 ATR 1694/4885PIK3CB 11/4885PIK3CD 6/4885

“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.