Sugi Predict

Sugi Predict / Compounds / SCHEMBL939003

SCHEMBL939003

SCHEMBL939003

Cc1noc2nc(C(S)c3ncnc4[nH]cnc34)n(-c3ccccc3)c(=O)c12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 14/20 0.39
▸ PIK3CG P48736 16/20 0.38
▸ PIK3R1 P27986 10/20 0.38
▸ PIK3CA P42336 10/20 0.38
▸ PIK3CB P42338 9/20 0.38
▸ PIK3C3 Q8NEB9 2/20 0.35
▸ PIK3R2 O00459 1/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ PRKDC P78527 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL361016 0.83 PIK3CD (0.39) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL734394 0.79 PIK3CD (0.51) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL939004 0.77 ALDH1A1 (0.47) PIK3CDPIK3CGPIK3R1PIK3CBSMN1; SMN2
SCHEMBL361017 0.76 ALDH1A1 (0.39) PIK3CDPIK3CGPIK3R1SMN1; SMN2NPSR1
SCHEMBL1703914 0.75 PIK3CD (0.56) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL735178 0.73 PIK3CD (0.45) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL733470 0.73 PIK3CD (0.46) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL1703724 0.73 PIK3CD (0.37) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL734721 0.73 SMN1; SMN2 (0.51) PIK3CDSMN1; SMN2
SCHEMBL10330141 0.73 SMN1; SMN2 (0.38) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2365810-A2 PHOSPHATIDYLINOSITOL-3-KINASE P110 DELTA-TARGETED DRUGS IN THE TREATMENT OF CNS DISORDERS The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2011-09-21 — — EP disclosed
US-20110021541-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION 2011-01-27 — — US disclosed
EP-2220089-A2 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2010-08-25 — — EP disclosed
WO-2010065923-A2 PHOSPHATIDYLINOSITOL-3-KINASE P110 DELTA-TARGETED DRUGS IN THE TREATMENT OF CNS DISORDERS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-06-10 — — WO disclosed
WO-2009064802-A2 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ELI LILLY & CO. (US) 2009-05-22 — — 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 (1 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-20110021541-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA PIK3CD, PI4KB, PI4KA PIK3CD 1/4885PIK3CG 4/4885PIK3R1 22/4885

“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.