SCHEMBL2394701

SCHEMBL2394701

CCn1c(CN2CC[C@H](NC(C)(C)C(N)=O)C2)nc2c(N3CCOCC3)nc(Cl)nc21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.38
PIK3CD O00329 14/20 0.37
PIK3CA P42336 6/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CB P42338 5/20 0.35
PIK3CG P48736 5/20 0.34
P2RX3 P56373 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
SCHEMBL2394708 1.00 HDAC1 (0.38) HDAC1PIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL2395629 0.94 HDAC1 (0.39) HDAC1PIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL2396535 0.85 HDAC1 (0.38) HDAC1PIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL2396203 0.82 POLB (0.42) HDAC1PIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL2394854 0.81 PIK3CD (0.53) HDAC1PIK3CDPIK3CAPIK3R1
SCHEMBL2396539 0.80 HDAC1 (0.41) HDAC1PIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL2396475 0.80 PIK3CD (0.52) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL2396470 0.80 PIK3CD (0.52) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL2394958 0.79 HDAC1 (0.40) HDAC1PIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL2394950 0.79 HDAC1 (0.40) HDAC1PIK3CDPIK3CAPIK3R1PIK3CG

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 4 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

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 3008/4885PIK3CD 2/4885PIK3CA 1/4885

“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.