SCHEMBL19367477

SCHEMBL19367477

COC(=O)c1cc(C)nc(N2CCOCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.60
PIK3CB P42338 1/20 0.60
KMT2A Q03164 2/20 0.52
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
AURKA O14965 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
APAF1 O14727 1/20 0.49
NPC1 O15118 1/20 0.49
TDP2 O95551 1/20 0.49
NSD2 O96028 1/20 0.49
PLA2G1B P04054 1/20 0.49
HSP90AA1 P07900 1/20 0.49
PLCG1 P19174 1/20 0.49
GALK1 P51570 1/20 0.49
BLM P54132 1/20 0.49
PDIA6 Q15084 1/20 0.49
HKDC1 Q2TB90 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49

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
SCHEMBL1579169 0.85 PIK3CA (0.58) PIK3CAPIK3CBKMT2AAURKARAB9A
SCHEMBL17607788 0.85 PIK3CA (0.58) PIK3CAPIK3CBKMT2AAURKARAB9A
SCHEMBL13336854 0.84 KMT2A (0.57) PIK3CAPIK3CBKMT2ACRHBPCRHR2
SCHEMBL3276269 0.84 PIK3CA (0.58) PIK3CAPIK3CBKMT2ACRHBPCRHR2
SCHEMBL23949228 0.82 KMT2A (0.48) PIK3CAPIK3CBKMT2ACRHBPCRHR2
SCHEMBL30353350 0.82 KMT2A (0.48) PIK3CAPIK3CBKMT2ACRHBPCRHR2
SCHEMBL31320165 0.81 PTGER4 (0.44) PIK3CAPIK3CBKMT2ARAB9AMEN1
SCHEMBL31704530 0.78 PIK3CA (0.74) PIK3CAPIK3CBRAB9AALDH1A1HPGD
SCHEMBL1516978 0.78 PIK3CA (0.74) PIK3CAPIK3CBRAB9AALDH1A1HPGD
SCHEMBL23259072 0.77 PIK3CA (0.54) PIK3CAPIK3CBKMT2AAURKARAB9A

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-20170267656-A1 PYRAZOLYL-SUBSTITUTED PYRIDONE COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2017-09-21 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-20170267656-A1 PYRAZOLYL-SUBSTITUTED PYRIDONE COMPOUNDS AS SERINE PROTEASE INHIBITORS SERPINE1, PRSS1, SPINT2 PIK3CA 927/4885PIK3CB 1343/4885KMT2A 2496/4885

“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.