SCHEMBL367925

SCHEMBL367925

O=C(NCc1nc(-c2cc(F)cc3[nH]ccc23)cc(N2CCOCC2)n1)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATR Q13535 9/20 0.46
PIK3CA P42336 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
PLOD2 O00469 1/20 0.40
PLOD3 O60568 1/20 0.40
PLOD1 Q02809 1/20 0.40
MTOR P42345 1/20 0.39
PRKDC P78527 1/20 0.39

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
SCHEMBL1025207 0.88 ATR (0.47) ATRPIK3CASMN1; SMN2TP53
SCHEMBL13119567 0.85 PIK3CA (0.49) ATRPIK3CAPIK3CBEGLN1
SCHEMBL1027578 0.81 AKT1 (0.46) ATRPIK3CASMN1; SMN2TP53PIK3CB
SCHEMBL1026930 0.81 PIK3CA (0.53) ATRPIK3CASMN1; SMN2ALDH1A1PIK3CB
SCHEMBL13119572 0.80 ATR (0.46) ATRTP53ALDH1A1
SCHEMBL3600404 0.80 PIK3CA (0.47) ATRPIK3CAMTORPRKDC
SCHEMBL1029698 0.80 PIK3CA (0.60) ATRPIK3CAPIK3CB
SCHEMBL3599352 0.79 ATR (0.47) ATRPIK3CAPIK3CBMTORPRKDC
SCHEMBL1026724 0.79 PIK3CA (0.50) ATRPIK3CA
SCHEMBL1028161 0.79 AKT1 (0.45) ATRPIK3CAPIK3CBPIK3CGMTOR

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
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US claimed
EP-2146981-A1 PHARMACEUTICAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2010-01-27 EP claimed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 WO 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
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS 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 1257/4885PIK3CA 10/4885SMN1; SMN2 4128/4885
US-20120184519-A1 Compositions and Methods for Preventing or Treating Influenza Virus Infection PIK3R5, PIK3C2A, PIK3C2B ATR 1974/4885PIK3CA 9/4885SMN1; SMN2 4344/4885
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, JAK2 ATR 957/4885PIK3CA 1/4885SMN1; SMN2 1580/4885
US-20130116267-A1 Role of PI3K P110 Delta Signaling in Retroviral Infection and Replication PIK3R5, PIK3R4, PIK3R3 ATR 1694/4885PIK3CA 10/4885SMN1; SMN2 3999/4885

“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.