SCHEMBL2392716

SCHEMBL2392716

CCn1c(CN2CCC(N(C)S(C)(=O)=O)CC2)nc2c(N3CCOCC3)nc(Cl)nc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.43
PIK3CA P42336 9/20 0.43
PIK3CG P48736 8/20 0.43
PIK3CB P42338 8/20 0.43
HDAC1 Q13547 5/20 0.39
PIK3R1 P27986 2/20 0.36
CYP3A4 P08684 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL2395837 0.89 PIK3CD (0.46) PIK3CDPIK3CAPIK3CGPIK3CBHDAC1
SCHEMBL12267966 0.84 TSHR (0.43) PIK3CDPIK3CAPIK3CGPIK3CBHDAC1
SCHEMBL1114023 0.83 PIK3CA (0.64) PIK3CDPIK3CAPIK3CGPIK3CBHDAC1
SCHEMBL2396867 0.82 HRH3 (0.48) PIK3CDPIK3CAPIK3CGPIK3CBHDAC1
SCHEMBL2396203 0.81 POLB (0.42) PIK3CDPIK3CAPIK3CGPIK3CBHDAC1
SCHEMBL2398167 0.81 HRH3 (0.46) PIK3CDPIK3CAPIK3CGPIK3CBHDAC1
SCHEMBL1113896 0.80 PIK3CA (0.54) PIK3CDPIK3CAPIK3CGPIK3CBHDAC1
SCHEMBL2396327 0.79 HRH3 (0.43) PIK3CDPIK3CAPIK3CGPIK3CBHDAC1
SCHEMBL2395688 0.79 CYP3A4 (0.37) PIK3CDPIK3CAPIK3CGPIK3CBHDAC1
SCHEMBL2397798 0.79 HRH3 (0.43) PIK3CDPIK3CAPIK3CGPIK3CBHDAC1

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-2215090-B1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2015-03-04 EP disclosed
EP-2215090-B1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2015-03-04 EP disclosed
US-20110230464-A1 PURINE DERIVATIVES USEFUL AS P13 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 US disclosed
US-20110230464-A1 PURINE DERIVATIVES USEFUL AS P13 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 US disclosed
US-20110230464-A1 PURINE DERIVATIVES USEFUL AS P13 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 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 (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-20110230464-A1 PURINE DERIVATIVES USEFUL AS P13 KINASE INHIBITORS PIK3CA, PIK3CD, PI4KA PIK3CD 2/4885PIK3CA 1/4885PIK3CG 6/4885

“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.