SCHEMBL21392066

SCHEMBL21392066

COC(=O)C(C(=O)OC(C)(C)C)c1cc(C)nc(Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NPR3 P17342 3/20 0.34
HTT P42858 1/20 0.32
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 2/20 0.31
FPR2 P25090 1/20 0.31
SCN9A Q15858 1/20 0.31
APP P05067 1/20 0.30
RECQL P46063 1/20 0.30
CYP3A4 P08684 1/20 0.30
STK17B O94768 1/20 0.30
STK17A Q9UEE5 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
SCHEMBL25410271 0.88 LMNA (0.52) KMT2ALMNAMAPK1NPR3CA12
SCHEMBL30598919 0.88 LMNA (0.52) KMT2ALMNAMAPK1NPR3CA12
SCHEMBL21392136 0.83 LMNA (0.45) KMT2ALMNAMAPK1NPR3MAPT
SCHEMBL21373731 0.78 LMNA (0.51) KMT2ALMNAALDH1A1MAPK1NPR3
SCHEMBL31292319 0.75 LMNA (0.48) KMT2ALMNAMAPK1FPR2SCN9A
SCHEMBL21392096 0.74 LMNA (0.52) KMT2ALMNAALDH1A1MAPK1NPR3
SCHEMBL31292396 0.72 KMT2A (0.89) KMT2ALMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL21373780 0.72 MAPK1 (0.43) KMT2ALMNAALDH1A1MAPK1NPR3
SCHEMBL29254962 0.71 KMT2A (0.46) KMT2ALMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL17466156 0.69 CA12 (0.41) KMT2ALMNAALDH1A1MAPK1CA12

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-2019179652-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2019-09-26 WO disclosed
WO-2019180244-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 KMT2A 3764/4885LMNA 1782/4885ALDH1A1 166/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 KMT2A 3764/4885LMNA 1782/4885ALDH1A1 166/4885

“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.