SCHEMBL21392136

SCHEMBL21392136

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK1 P28482 1/20 0.41
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CRHBP P24387 1/20 0.37
CYP2C19 P33261 1/20 0.37
CRHR2 Q13324 1/20 0.37
SOS1 Q07889 1/20 0.33
FPR2 P25090 1/20 0.33
SCN9A Q15858 1/20 0.33
AAK1 Q2M2I8 2/20 0.33
NPR3 P17342 2/20 0.32
IGF1R P08069 3/20 0.31
MAPT P10636 1/20 0.31
APP P05067 1/20 0.31
ATF1 P18846 1/20 0.31
NFKB1 P19838 1/20 0.31
MRGPRX4 Q96LA9 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
SCHEMBL21381568 0.86 MAPK1 (0.44) LMNAKMT2AMAPK1CYP3A4CYP2D6
SCHEMBL30598919 0.84 LMNA (0.52) LMNAKMT2AMAPK1FPR2SCN9A
SCHEMBL25410271 0.84 LMNA (0.52) LMNAKMT2AMAPK1FPR2SCN9A
SCHEMBL21392066 0.83 KMT2A (0.48) LMNAKMT2AMAPK1CYP3A4FPR2
SCHEMBL21392312 0.77 MAPK1 (0.38) KMT2AMAPK1CYP3A4CYP2D6TSHR
SCHEMBL21373731 0.75 LMNA (0.51) LMNAKMT2AMAPK1AAK1NPR3
SCHEMBL31292319 0.75 LMNA (0.48) LMNAKMT2AMAPK1FPR2SCN9A
SCHEMBL21392096 0.74 LMNA (0.52) LMNAKMT2AMAPK1NPR3MAPT
SCHEMBL23592933 0.74 ATF1 (0.41) LMNASCN9AAAK1ATF1NFKB1
SCHEMBL22924876 0.70 IGF1R (0.36) LMNAMAPK1IGF1RMAPTATF1

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 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.