SCHEMBL2397399

SCHEMBL2397399

CCn1c(CN2CCC3(CC2)CNC(=O)C3)nc2c(N3CCOCC3)nc(Cl)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1LG2 Q9BQ51 3/20 0.37
CD274 Q9NZQ7 3/20 0.37
PIK3CD O00329 2/20 0.36
HDAC1 Q13547 3/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CYP3A4 P08684 3/20 0.34
HSD17B10 Q99714 4/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PDE10A Q9Y233 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
GAA P10253 2/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 2/20 0.32
P2RX3 P56373 1/20 0.32

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
SCHEMBL2399399 0.86 HDAC1 (0.34) PIK3CDHDAC1CYP3A4HSD17B10ALDH1A1
SCHEMBL2396938 0.83 CCNC (0.40) PIK3CDHDAC1CYP3A4PDE10APIK3R1
SCHEMBL2397187 0.82 HDAC1 (0.36) PIK3CDHDAC1CYP3A4HSD17B10ALDH1A1
SCHEMBL2394845 0.80 PIK3CD (0.46) PIK3CDPIK3CA
SCHEMBL2395905 0.79 HDAC1 (0.40) PIK3CDHDAC1CYP3A4HSD17B10ALDH1A1
SCHEMBL2392927 0.79 PIK3CD (0.52) PIK3CDHDAC1CYP3A4PIK3R1PIK3CA
SCHEMBL2396687 0.78 HDAC1 (0.39) PIK3CDHDAC1CYP3A4ALDH1A1KDM4E
SCHEMBL12267966 0.77 TSHR (0.43) PIK3CDHDAC1CYP3A4HSD17B10ALDH1A1
SCHEMBL2396867 0.76 HRH3 (0.48) PIK3CDHDAC1CYP3A4HSD17B10ALDH1A1
SCHEMBL2398300 0.76 CYP3A4 (0.39) PIK3CDHDAC1CYP3A4HSD17B10ALDH1A1

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 PDCD1LG2 3761/4885CD274 2771/4885PIK3CD 2/4885

“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.