SCHEMBL9605475

SCHEMBL9605475

CC(=O)Nc1cnc(C(C)C)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 2/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
GAA P10253 2/20 0.42
CYP1A2 P05177 2/20 0.42
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KMT2A Q03164 1/20 0.37
HCRTR1 O43613 1/20 0.37
DEGS1 O15121 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
NSD2 O96028 1/20 0.35
EGFR P00533 1/20 0.35
LMNA P02545 1/20 0.35
MAPK8 P45983 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL13165563 0.84 PTK2 (0.61) PTK2L3MBTL1KDM4EHSP90AA1HSP90AB1
SCHEMBL13595280 0.82 NPC1 (0.39) L3MBTL1HCRTR1DEGS1RAB9ANPC1
SCHEMBL13400751 0.77 HPGD (0.48) KDM4ERAB9ANPC1MAPT
SCHEMBL2227323 0.75 PTK2 (0.52) PTK2L3MBTL1KDM4EHSP90AA1HSP90AB1
SCHEMBL13702026 0.75 PTK2 (0.52) PTK2L3MBTL1KDM4EHSP90AA1HSP90AB1
SCHEMBL10149742 0.74 HCAR3 (0.34) HCRTR1
SCHEMBL23980124 0.73 PTK2 (0.59) PTK2L3MBTL1KDM4EHSP90AA1HSP90AB1
SCHEMBL30227525 0.73 PTK2 (0.50) PTK2L3MBTL1KDM4EHSP90AA1HSP90AB1
SCHEMBL1432592 0.73 PTK2 (0.50) PTK2L3MBTL1KDM4EHSP90AA1HSP90AB1
SCHEMBL14021067 0.73 KDM4E (0.44) PTK2L3MBTL1KDM4EHSP90AA1HSP90AB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135988-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-05-31 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-20120135988-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG PTK2 1019/4885L3MBTL1 2555/4885KDM4E 4241/4885

“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.