SCHEMBL2398890

SCHEMBL2398890

CCn1c(CN2CCN(CC(N)=O)C(C(C)C)C2)nc2c(N3CCOCC3)nc(Cl)nc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.36
PIK3CA P42336 2/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CD O00329 5/20 0.34
CYP3A4 P08684 3/20 0.34
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
P2RX3 P56373 3/20 0.33
CNR2 P34972 2/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL2398881 1.00 HDAC1 (0.36) HDAC1PIK3CAPIK3R1PIK3CDCYP3A4
SCHEMBL2395377 0.83 HDAC1 (0.36) HDAC1PIK3CAPIK3R1PIK3CDCYP3A4
SCHEMBL2395388 0.83 HDAC1 (0.36) HDAC1PIK3CAPIK3R1PIK3CDCYP3A4
SCHEMBL2394958 0.82 HDAC1 (0.40) HDAC1PIK3CAPIK3R1PIK3CDCYP3A4
SCHEMBL2394950 0.82 HDAC1 (0.40) HDAC1PIK3CAPIK3R1PIK3CDCYP3A4
SCHEMBL2396798 0.81 PIK3CD (0.47) PIK3CAPIK3CD
SCHEMBL2396795 0.81 PIK3CD (0.47) PIK3CAPIK3CD
SCHEMBL2395872 0.80 PIK3CD (0.48) HDAC1PIK3CAPIK3R1PIK3CDCYP3A4
SCHEMBL2396739 0.80 PIK3CD (0.48) HDAC1PIK3CAPIK3R1PIK3CDCYP3A4
SCHEMBL2395255 0.79 HDAC1 (0.38) 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 2 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

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.