SCHEMBL939004

SCHEMBL939004

Cc1noc2nc(CSc3ncnc4[nH]cnc34)n(-c3ccccc3)c(=O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PIK3CG P48736 9/20 0.41
SMN1; SMN2 Q16637 5/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
PIK3CD O00329 3/20 0.37
PIK3CB P42338 1/20 0.37
TSHR P16473 3/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL361017 0.91 ALDH1A1 (0.39) ALDH1A1HSD17B10RXFP1PIK3CGSMN1; SMN2
SCHEMBL361016 0.82 PIK3CD (0.39) PIK3CGSMN1; SMN2PIK3CDPIK3CBHTT
SCHEMBL734395 0.80 ALDH1A1 (0.72) ALDH1A1HSD17B10RXFP1PIK3CGSMN1; SMN2
SCHEMBL12912394 0.79 ALDH1A1 (0.56) ALDH1A1HSD17B10RXFP1PIK3CGSMN1; SMN2
SCHEMBL12912404 0.79 ALDH1A1 (0.51) ALDH1A1HSD17B10RXFP1PIK3CGSMN1; SMN2
SCHEMBL939003 0.77 PIK3CD (0.39) PIK3CGSMN1; SMN2PIK3CDPIK3CBPIK3R1
SCHEMBL1703918 0.76 PIK3CD (0.58) ALDH1A1HSD17B10RXFP1PIK3CGSMN1; SMN2
SCHEMBL20409291 0.75 ALDH1A1 (0.61) ALDH1A1HSD17B10RXFP1PIK3CGSMN1; SMN2
SCHEMBL7213503 0.75 PIK3CG (0.59) ALDH1A1HSD17B10RXFP1PIK3CGSMN1; SMN2
SCHEMBL735258 0.75 ALDH1A1 (0.67) ALDH1A1HSD17B10RXFP1PIK3CGSMN1; SMN2

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 8 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
US-20110021541-A1 INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA ICOS CORPORATION 2011-01-27 US 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
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 ALDH1A1 4614/4885HSD17B10 2351/4885RXFP1 4737/4885

“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.