SCHEMBL2396687

SCHEMBL2396687

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.39
PIK3CA P42336 4/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CD O00329 3/20 0.37
TSHR P16473 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 1/20 0.34
P2RX3 P56373 2/20 0.34
PDE10A Q9Y233 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL2395905 0.89 HDAC1 (0.40) HDAC1PIK3CAPIK3R1PIK3CDCYP3A4
SCHEMBL2396203 0.83 POLB (0.42) HDAC1PIK3CAPIK3R1PIK3CDCYP3A4
SCHEMBL2394854 0.82 PIK3CD (0.53) HDAC1PIK3CAPIK3R1PIK3CDCYP3A4
SCHEMBL2394974 0.79 PIK3CD (0.49) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL2396938 0.79 CCNC (0.40) HDAC1PIK3CAPIK3R1PIK3CDCYP3A4
SCHEMBL2395255 0.78 HDAC1 (0.38) HDAC1PIK3CAPIK3R1PIK3CDCYP3A4
SCHEMBL12267856 0.78 PIK3CD (0.52) HDAC1PIK3CAPIK3R1PIK3CDCYP3A4
SCHEMBL12267966 0.78 TSHR (0.43) HDAC1PIK3CAPIK3R1PIK3CDTSHR
SCHEMBL2394958 0.78 HDAC1 (0.40) HDAC1PIK3CAPIK3R1PIK3CDCYP3A4
SCHEMBL12267952 0.78 HDAC1 (0.40) HDAC1PIK3CAPIK3R1PIK3CDCYP3A4

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
US-20110230464-A1 PURINE DERIVATIVES USEFUL AS P13 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 US 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 HDAC1 3008/4885PIK3CA 1/4885PIK3R1 24/4885

“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.