SCHEMBL360489

SCHEMBL360489

CC(c1nc2ccsc2c(=O)n1-c1ccccc1)n1cnc2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 1.00
PIK3R1 P27986 8/20 0.60
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
PI4KA P42356 1/20 0.43
PI4K2B Q8TCG2 1/20 0.43
PI4K2A Q9BTU6 1/20 0.43
PI4KB Q9UBF8 1/20 0.43

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
SCHEMBL10330136 0.87 PIK3CD (0.77) PIK3CDPIK3R1ALDH1A1SMN1; SMN2
SCHEMBL12912425 0.86 PIK3CD (0.75) PIK3CDPIK3R1ADORA2AADORA2BADORA1
SCHEMBL13349721 0.85 PIK3CD (0.74) PIK3CDPIK3R1ADORA2AADORA2BADORA1
SCHEMBL12912410 0.83 PIK3CD (1.00) PIK3CDPIK3R1ADORA2AADORA2BADORA1
SCHEMBL1703532 0.82 PIK3CD (0.69) PIK3CDPIK3R1ALDH1A1SMN1; SMN2
SCHEMBL10307720 0.81 PIK3CD (1.00) PIK3CDPIK3R1
SCHEMBL13261966 0.79 PIK3CD (0.65) PIK3CDPIK3R1ALDH1A1ADORA2AADORA2B
SCHEMBL13506386 0.78 PIK3CD (0.78) PIK3CDPIK3R1ADORA2AADORA2BADORA1
SCHEMBL938576 0.78 PIK3CD (1.00) PIK3CDPIK3R1ADORA2AADORA2BADORA1
SCHEMBL360490 0.77 PIK3CD (0.64) PIK3CDPIK3R1ALDH1A1SMN1; SMN2ADORA2A

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 17 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-9949979-B2 Use of inhibitors of the activity or function of PI3K NOVARTIS AG (CH) 2018-04-24 US disclosed
US-9949979-B2 Use of inhibitors of the activity or function of PI3K NOVARTIS AG (CH) 2018-04-24 US disclosed
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K NOVARTIS AG (CH) 2015-12-03 US disclosed
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K NOVARTIS AG (CH) 2015-12-03 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-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-20120178767-A1 TREATMENT OF LIVER DISORDERS WITH P13K INHIBITORS GILEAD CALISTOGA LLC (US) 2012-07-12 US disclosed
US-20120178767-A1 TREATMENT OF LIVER DISORDERS WITH P13K INHIBITORS GILEAD CALISTOGA LLC (US) 2012-07-12 US disclosed
EP-2441768-A1 Thienopyrimidinones for treatment of inflammatory disorders and cancers Eli Lilly & Co. (US) 2012-04-18 EP disclosed
WO-2012009452-A1 THE ROLE OF P13K P110 DELTA SIGNALING IN RETROVIRAL INFECTION AND REPLICATION PHILADELPHIA HEALTH & EDUCATION CORPORATION (US) 2012-01-19 WO 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
WO-2011011550-A1 TREATMENT OF LIVER DISORDERS WITH PI3K INHIBITORS CALISTOGA PHARMACEUTICALS INC. (US) 2011-01-27 WO disclosed
US-20100216820-A1 THIENOPYRIMIDIONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS ICOS CORPORATION 2010-08-26 US disclosed
US-20100216820-A1 THIENOPYRIMIDIONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS ICOS CORPORATION 2010-08-26 US disclosed
WO-2008064018-A1 THIENOPYRIMIDINONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS ELI LILLY & CO. (US) 2008-05-29 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 (6 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-20100216820-A1 THIENOPYRIMIDIONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3R1 9/4885ALDH1A1 1821/4885
US-20120178767-A1 TREATMENT OF LIVER DISORDERS WITH P13K INHIBITORS PYGL, PRKCZ, PHKG1 PIK3CD 146/4885PIK3R1 554/4885ALDH1A1 1549/4885
US-20110135655-A1 Role of PI3K p110 delta Signaling in Retroviral Infection and Replication PIK3R5, PIK3R4, PIK3R1 PIK3CD 5/4885PIK3R1 3/4885ALDH1A1 4805/4885
US-20120184519-A1 Compositions and Methods for Preventing or Treating Influenza Virus Infection PIK3R5, PIK3C2A, PIK3C2B PIK3CD 6/4885PIK3R1 8/4885ALDH1A1 4609/4885
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K TLR9, PIK3CD, PIK3R5 PIK3CD 2/4885PIK3R1 5/4885ALDH1A1 4835/4885
US-20130116267-A1 Role of PI3K P110 Delta Signaling in Retroviral Infection and Replication PIK3R5, PIK3R4, PIK3R3 PIK3CD 6/4885PIK3R1 4/4885ALDH1A1 4867/4885

“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.