SCHEMBL1704260

SCHEMBL1704260

CCC(Nc1ncnc2[nH]cnc12)c1nc2ccsc2c(=O)n1-c1cccc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.49
PIK3CG P48736 11/20 0.48
PIK3CB P42338 8/20 0.47
PIK3CA P42336 7/20 0.47
PIK3R1 P27986 3/20 0.47
PIK3R2 O00459 1/20 0.45
ABCB11 O95342 1/20 0.45
HTR1A P08908 1/20 0.45
PTGS1 P23219 1/20 0.45
OPRM1 P35372 1/20 0.45
PRKDC P78527 1/20 0.45
SLC6A3 Q01959 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE3A Q14432 1/20 0.45
PIK3C3 Q8NEB9 1/20 0.45
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL1703834 0.91 PIK3CD (0.51) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL1703417 0.90 PIK3CD (0.61) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL1703509 0.86 PIK3CD (0.55) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL1703384 0.86 PIK3CD (0.51) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL1704094 0.83 PIK3CD (0.49) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL1704354 0.80 PIK3CD (0.53) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL1703483 0.80 PIK3CD (0.54) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL1704242 0.79 PIK3CD (0.76) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL1704298 0.78 NPC1 (0.42) PIK3CDPIK3CG
SCHEMBL1703701 0.77 GAA (0.44) PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216820-A1 THIENOPYRIMIDIONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS ICOS CORPORATION 2010-08-26 US claimed
EP-2441768-A1 Thienopyrimidinones for treatment of inflammatory disorders and cancers Eli Lilly & Co. (US) 2012-04-18 EP 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
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 (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-20100216820-A1 THIENOPYRIMIDIONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3CG 5/4885PIK3CB 3/4885

“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.