SCHEMBL22924930

SCHEMBL22924930

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
S1PR2 O95136 1/20 0.34
CNR2 P34972 5/20 0.34
STK17B O94768 1/20 0.34
STK17A Q9UEE5 1/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
CNR1 P21554 1/20 0.33
PLCG1 P19174 1/20 0.33
ATF1 P18846 1/20 0.33
NFKB1 P19838 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
KCNN4 O15554 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
SCHEMBL30882872 1.00 KDM4E (0.35) KDM4ES1PR2CNR2STK17BSTK17A
SCHEMBL22924882 0.85 ALDH1A1 (0.43) KDM4ECNR2CNR1PLCG1ALDH1A1
SCHEMBL22924876 0.84 IGF1R (0.36) KDM4ECNR2ATF1NFKB1ALDH1A1
SCHEMBL21381400 0.84 ALDH1A1 (0.41) KDM4ECNR2ALDH1A1LMNASMN1; SMN2
SCHEMBL31292356 0.80 S1PR2 (0.33) KDM4ES1PR2CNR2BCHEACHE
SCHEMBL26639225 0.77 CNR2 (0.42) KDM4ES1PR2CNR2BCHEACHE
SCHEMBL12885000 0.75 ALDH1A1 (0.37) KDM4ES1PR2CNR2STK17BSTK17A
SCHEMBL21373779 0.75 PLCG1 (0.41) CNR2CNR1PLCG1ALDH1A1CYP2C19
SCHEMBL30416548 0.73 CYP2C19 (0.35) CNR2CNR1PLCG1CYP2C19
SCHEMBL22924868 0.73 CYP2C19 (0.35) CNR2CNR1PLCG1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3768674-B1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S A S (FR) 2024-01-03 EP 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-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

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 KDM4E 4062/4885S1PR2 3605/4885CNR2 1312/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 KDM4E 4062/4885S1PR2 3605/4885CNR2 1312/4885

“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.