SCHEMBL994877

SCHEMBL994877

Fc1cc(-c2nc(N3CCOCC3)c3sc(CN4CCC(N5CCC5)CC4)cc3n2)c2cc[nH]c2c1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.68
CYP3A4 P08684 3/20 0.68
PIK3CA P42336 13/20 0.63
PIK3CB P42338 13/20 0.63
PIK3CG P48736 12/20 0.63
PIK3R1 P27986 1/20 0.59

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
SCHEMBL2460793 0.98 PIK3CD (0.68) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL995560 0.94 PIK3CD (0.72) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL3622151 0.91 PIK3CD (0.75) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL994262 0.90 PIK3CD (0.66) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL993386 0.90 PIK3CD (0.66) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL4566725 0.90 PIK3CD (0.67) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL2465994 0.90 PIK3CD (0.73) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL994929 0.89 PIK3CD (0.78) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL13871988 0.89 PIK3CD (0.62) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG
SCHEMBL3618482 0.89 PIK3CD (0.71) PIK3CDCYP3A4PIK3CAPIK3CBPIK3CG

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 14 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
US-8293735-B2 Thienopyrimidine derivatives as P13K inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2012-10-23 US claimed
US-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-27 US claimed
EP-2205610-B1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS HOFFMANN LA ROCHE (CH) 2013-11-20 EP 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-8293735-B2 Thienopyrimidine derivatives as P13K inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2012-10-23 US disclosed
US-8293735-B2 Thienopyrimidine derivatives as P13K inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2012-10-23 US disclosed
US-8293735-B2 Thienopyrimidine derivatives as P13K inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2012-10-23 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
US-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-27 US disclosed
US-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-27 US disclosed
US-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-27 US disclosed
WO-2009053715-A1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 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 PIK3CD 5/4885CYP3A4 4168/4885PIK3CA 10/4885
US-20120184519-A1 Compositions and Methods for Preventing or Treating Influenza Virus Infection PIK3R5, PIK3C2A, PIK3C2B PIK3CD 6/4885CYP3A4 3834/4885PIK3CA 9/4885
US-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885CYP3A4 401/4885PIK3CA 1/4885
US-20130116267-A1 Role of PI3K P110 Delta Signaling in Retroviral Infection and Replication PIK3R5, PIK3R4, PIK3R3 PIK3CD 6/4885CYP3A4 4322/4885PIK3CA 10/4885

“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.