SCHEMBL735090

SCHEMBL735090

CCCCn1c(C(S)c2ncnc3[nH]cnc23)nc2ccccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
PIK3CD O00329 1/20 0.42
TSHR P16473 1/20 0.42
PTK2B Q14289 1/20 0.42
CACNA2D1 P54289 3/20 0.40
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 2/20 0.39
POLB P06746 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL734969 0.86 RAB9A (0.47) ALDH1A1SMN1; SMN2PIK3CDTSHRCACNA2D1
SCHEMBL18526811 0.83 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2PIK3CDTSHRPTK2B
SCHEMBL734394 0.81 PIK3CD (0.51) ALDH1A1PIK3CDMAPTL3MBTL1PDE4A
SCHEMBL734421 0.79 PIK3CD (0.40) ALDH1A1PIK3CDMAPTKDM4E
SCHEMBL735169 0.78 CASR (0.47) PIK3CDTSHRMAPTKDM4E
SCHEMBL735178 0.77 PIK3CD (0.45) ALDH1A1SMN1; SMN2PIK3CDTSHRKDM4E
SCHEMBL735037 0.77 PIK3CG (0.47) ALDH1A1SMN1; SMN2PIK3CDKDM4EPOLB
SCHEMBL735268 0.76 L3MBTL1 (0.47) ALDH1A1PIK3CDTSHRMAPTL3MBTL1
SCHEMBL735091 0.76 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TSHRPTK2BMAPT
SCHEMBL735068 0.75 PIK3CD (0.38) ALDH1A1SMN1; SMN2PIK3CDTSHRKDM4E

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1278748-B1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORP (US) 2011-03-23 EP claimed
US-6800620-B2 CONTACTING LEUKOCYTES, OSTEOCLASTS WITH AN ENZYME INHIBITORS, A 9H-PURIN-3H-QUINAZOLIN-4-ONE DERIVATIVES, TREATING BONE-RESORPTION DISORDER, ANTIPROLIFERATIVE AGENTS TREATING LEUKEMIA CELLS ICOS 2004-10-05 US claimed
US-20030195211-A1 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION 2003-10-16 US claimed
US-10695349-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2020-06-30 US disclosed
US-20200061062-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2020-02-27 US disclosed
US-10398695-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2019-09-03 US disclosed
US-20180360832-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2018-12-20 US disclosed
US-10010550-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2018-07-03 US disclosed
US-20170340633-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2017-11-30 US disclosed
US-20170049772-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2017-02-23 US disclosed
US-9487772-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2016-11-08 US disclosed
EP-1939203-A2 Inhibitors of human phosphatidyl-inositol 3-kinase delta isoform ICOS Corporation (US) 2008-07-02 EP disclosed
US-20050261317-A1 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2005-11-24 US disclosed
US-6949535-B2 for example, 2-(6-aminopurin-9-ylmethyl)-3-(2-chlorophenyl)-6,7-dimethoxy-3H-quinazolin-4-one ICOS CORPORATION (US) 2005-09-27 US disclosed
US-20040266780-A1 for example, 2-(6-aminopurin-9-ylmethyl)-3-(2-chlorophenyl)-6,7-dimethoxy-3H-quinazolin-4-one ICOS CORPORATION 2004-12-30 US disclosed
US-6800620-B2 CONTACTING LEUKOCYTES, OSTEOCLASTS WITH AN ENZYME INHIBITORS, A 9H-PURIN-3H-QUINAZOLIN-4-ONE DERIVATIVES, TREATING BONE-RESORPTION DISORDER, ANTIPROLIFERATIVE AGENTS TREATING LEUKEMIA CELLS ICOS 2004-10-05 US disclosed
US-6667300-B2 Purinyl substituted quinazoline-4-one derivatives ICOS CORPORATION 2003-12-23 US disclosed
US-20030195211-A1 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION 2003-10-16 US disclosed
US-6518277-B1 Disrupting leukocyte function ICOS CORPORATION 2003-02-11 US disclosed
US-20020161014-A1 Purinyl substituted quinazoline-4-one derivatives ICOS CORPORATION, A DELAWARE CORPORATION 2002-10-31 US 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 (11 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-20170340633-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ALDH1A1 4628/4885SMN1; SMN2 4317/4885PIK3CD 1/4885
US-20180360832-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ALDH1A1 4628/4885SMN1; SMN2 4317/4885PIK3CD 1/4885
US-20020161014-A1 Purinyl substituted quinazoline-4-one derivatives PIK3CD, PIK3CA, PIK3CG ALDH1A1 4264/4885SMN1; SMN2 4508/4885PIK3CD 1/4885
US-20170049772-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ALDH1A1 4707/4885SMN1; SMN2 4008/4885PIK3CD 1/4885
US-20050261317-A1 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3R5, PIK3CA ALDH1A1 4744/4885SMN1; SMN2 4375/4885PIK3CD 1/4885
US-20040266780-A1 for example, 2-(6-aminopurin-9-ylmethyl)-3-(2-chlorophenyl)-6,7-dimethoxy-3H-quinazolin-4-one PIK3CD, PIK3CA, PIK3CG ALDH1A1 3454/4885SMN1; SMN2 4689/4885PIK3CD 1/4885
US-20200061062-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ALDH1A1 4628/4885SMN1; SMN2 4317/4885PIK3CD 1/4885
US-20030195211-A1 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG ALDH1A1 4487/4885SMN1; SMN2 4328/4885PIK3CD 1/4885
US-10695349-B2 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG ALDH1A1 4628/4885SMN1; SMN2 4317/4885PIK3CD 1/4885
US-10010550-B2 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG ALDH1A1 4628/4885SMN1; SMN2 4317/4885PIK3CD 1/4885
US-10398695-B2 Inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PIK3CG ALDH1A1 4628/4885SMN1; SMN2 4317/4885PIK3CD 1/4885

“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.