SCHEMBL20163753

SCHEMBL20163753

CC(C)(CN)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 4/20 0.47
ALDH1A1 P00352 1/20 0.47
RIPK1 Q13546 2/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
RECQL P46063 1/20 0.43
AOC3 Q16853 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL567235 0.84 KMT2A (0.54) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL15671115 0.81 RIPK1 (0.50) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL19205500 0.81 RIPK1 (0.50) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL8773482 0.81 MEN1 (0.69) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL17258048 0.81 KMT2A (0.51) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL15670423 0.80 MEN1 (0.48) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL18038595 0.80 KMT2A (0.54) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL2875452 0.79 MEN1 (0.50) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL17258003 0.79 MEN1 (0.54) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL15670716 0.79 RIPK1 (0.48) MEN1KMT2AHTTL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313397-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME (US) 2020-11-25 EP disclosed
US-10221178-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME CORP. (US) 2019-03-05 US disclosed
US-20180141947-A1 Purine Inhibitors of Human Phosphatidylinositol 3-Kinase Delta MERCK SHARP & DOHME CORP. (US) 2018-05-24 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 (2 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-10221178-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PI4KA MEN1 3412/4885KMT2A 4539/4885HTT 4857/4885
US-20180141947-A1 Purine Inhibitors of Human Phosphatidylinositol 3-Kinase Delta PIK3CD, PIK3CA, PI4KA MEN1 3412/4885KMT2A 4539/4885HTT 4857/4885

“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.