SCHEMBL2395837

SCHEMBL2395837

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.46
HDAC1 Q13547 3/20 0.40
PIK3CG P48736 1/20 0.39
CYP3A4 P08684 2/20 0.38
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PDE10A Q9Y233 1/20 0.36
CNR2 P34972 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
SCHEMBL2392716 0.89 PIK3CD (0.43) PIK3CDHDAC1PIK3CGCYP3A4PIK3R1
SCHEMBL12267966 0.89 TSHR (0.43) PIK3CDHDAC1PIK3CGCYP3A4PIK3R1
SCHEMBL2109797 0.88 PIK3CD (0.49) PIK3CDHDAC1PIK3CGPIK3CAPIK3CB
SCHEMBL2396867 0.87 HRH3 (0.48) PIK3CDHDAC1PIK3CGCYP3A4PIK3CA
SCHEMBL2398167 0.85 HRH3 (0.46) PIK3CDHDAC1PIK3CGCYP3A4PIK3CA
SCHEMBL2396327 0.84 HRH3 (0.43) PIK3CDHDAC1PIK3CGCYP3A4PIK3R1
SCHEMBL2396203 0.83 POLB (0.42) PIK3CDHDAC1PIK3CGCYP3A4PIK3R1
SCHEMBL2397798 0.83 HRH3 (0.43) PIK3CDHDAC1PIK3CGCYP3A4PIK3R1
SCHEMBL2394343 0.83 HDAC1 (0.39) PIK3CDHDAC1PIK3CG
SCHEMBL2394808 0.82 HRH3 (0.40) PIK3CDHDAC1PIK3CGCYP3A4PIK3CA

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
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
EP-2215090-A1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-08-11 EP disclosed
WO-2009053716-A1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2009-04-30 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-20110230464-A1 PURINE DERIVATIVES USEFUL AS P13 KINASE INHIBITORS PIK3CA, PIK3CD, PI4KA PIK3CD 2/4885HDAC1 3008/4885PIK3CG 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.