SCHEMBL2396938

SCHEMBL2396938

CCn1c(CN2CCC3(CCNC3=O)CC2)nc2c(N3CCOCC3)nc(Cl)nc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNC P24863 4/20 0.40
CDK8 P49336 4/20 0.40
JAK2 O60674 3/20 0.39
JAK1 P23458 3/20 0.39
TYK2 P29597 3/20 0.39
JAK3 P52333 3/20 0.39
CYP3A4 P08684 2/20 0.38
TNKS O95271 1/20 0.38
CYP2C9 P11712 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
HDAC1 Q13547 5/20 0.37
LTA4H P09960 4/20 0.35
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
PDE10A Q9Y233 1/20 0.33
PIK3CD O00329 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
SCHEMBL2673486 0.89 HDAC1 (0.46) CCNCCDK8JAK2JAK1TYK2
SCHEMBL2397399 0.83 PDCD1LG2 (0.37) CYP3A4HDAC1PIK3R1PIK3CAPDE10A
SCHEMBL2399399 0.82 HDAC1 (0.34) CYP3A4HDAC1PIK3R1PIK3CAPDE10A
SCHEMBL2395905 0.80 HDAC1 (0.40) CYP3A4HDAC1PIK3R1PIK3CAPDE10A
SCHEMBL2394249 0.79 PIK3CD (0.46) CCNCCDK8PIK3CAPIK3CD
SCHEMBL2397187 0.79 HDAC1 (0.36) CYP3A4HDAC1PIK3R1PIK3CAPDE10A
SCHEMBL2395757 0.79 PIK3CD (0.53) JAK2JAK1TYK2JAK3CYP3A4
SCHEMBL2396687 0.79 HDAC1 (0.39) CYP3A4HDAC1PIK3R1PIK3CAPDE10A
SCHEMBL12267966 0.78 TSHR (0.43) CYP3A4HDAC1PIK3R1PIK3CAPDE10A
SCHEMBL2396867 0.76 HRH3 (0.48) CYP3A4HDAC1PIK3CAPDE10APIK3CD

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 7 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
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 CCNC 574/4885CDK8 360/4885JAK2 246/4885

“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.