SCHEMBL21392096

SCHEMBL21392096

COC(=O)C(C(=O)OC(C)(C)C)c1cncc(Cl)n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPK1 P28482 1/20 0.36
ATR Q13535 1/20 0.35
TRPA1 O75762 1/20 0.33
STK17B O94768 1/20 0.33
STK17A Q9UEE5 1/20 0.33
MAPKAPK2 P49137 3/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
SYK P43405 1/20 0.32
P2RY2 P41231 1/20 0.31
CTSA P10619 1/20 0.31
DYRK1A Q13627 1/20 0.31
S1PR3 Q99500 1/20 0.30
RAB9A P51151 1/20 0.30
NPR3 P17342 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL1811481 0.94 LMNA (0.57) LMNAKMT2AATRTRPA1STK17B
SCHEMBL26122997 0.90 MAPK1 (0.39) LMNAKMT2AMAPK1CTSAS1PR3
SCHEMBL30556962 0.90 MAPK1 (0.39) LMNAKMT2AMAPK1CTSAS1PR3
SCHEMBL21381606 0.82 MAPK1 (0.37) LMNAKMT2AMAPK1CTSAS1PR3
SCHEMBL27287525 0.81 KMT2A (0.46) LMNAKMT2AMAPK1ATRTRPA1
SCHEMBL12216750 0.80 LMNA (0.44) LMNAKMT2AATRTRPA1STK17B
SCHEMBL8218226 0.80 LMNA (0.44) LMNAKMT2AATRTRPA1STK17B
SCHEMBL2580431 0.78 ALDH1A1 (0.38) LMNAKMT2AMAPK1CTSARAB9A
SCHEMBL25410271 0.78 LMNA (0.52) LMNAKMT2AMAPK1ATRTRPA1
SCHEMBL30598919 0.78 LMNA (0.52) LMNAKMT2AMAPK1ATRTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111868051-B Aminopyrimidine derivatives as CTPS1 inhibitors 斯泰普制药股份公司 2024-04-09 CN disclosed
US-20230192673-A1 Compounds STEP PHARMA S.A.S. (FR) 2023-06-22 US disclosed
US-20230192673-A1 Compounds STEP PHARMA S.A.S. (FR) 2023-06-22 US disclosed
US-20210024507-A1 Compounds STEP PHARMA S A S (FR) 2021-01-28 US disclosed
CN-111868051-A Aminopyrimidine derivatives as CTPS1 inhibitors 斯泰普制药股份公司 2020-10-30 CN disclosed
WO-2019180244-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2019-09-26 WO disclosed
WO-2019179652-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2019-09-26 WO 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-20210024507-A1 Compounds CYP1A1, UGT1A1, CYP1A2 LMNA 1782/4885KMT2A 3764/4885MAPK1 2164/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 LMNA 1782/4885KMT2A 3764/4885MAPK1 2164/4885

“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.