SCHEMBL21373779

SCHEMBL21373779

COC(=O)C(C)(C)c1ccnc(Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.41
CYP2C19 P33261 1/20 0.37
ATR Q13535 1/20 0.36
TRPV1 Q8NER1 1/20 0.34
AAK1 Q2M2I8 2/20 0.34
CNR2 P34972 4/20 0.33
BRS3 P32247 1/20 0.33
CNR1 P21554 1/20 0.33
KCNN4 O15554 1/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CTPS1 P17812 1/20 0.32
CYP26A1 O43174 1/20 0.32

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
SCHEMBL10175021 0.83 CYP1A2 (0.42) AAK1CNR2
SCHEMBL21381613 0.83 MEN1 (0.37) PLCG1CYP2C19ATRTRPV1AAK1
SCHEMBL17059648 0.81 FFAR1 (0.35) CYP2C19TRPV1AAK1LMNAMEN1
SCHEMBL17601049 0.81 DYRK1A (0.33) PLCG1CYP2C19ATRTRPV1AAK1
SCHEMBL21373866 0.80 AAK1 (0.33) PLCG1CYP2C19ATRTRPV1AAK1
SCHEMBL21381422 0.80 AAK1 (0.37) PLCG1CYP2C19ATRTRPV1AAK1
SCHEMBL25254661 0.79 PLCG1 (0.38) PLCG1CYP2C19ATRCNR2BRS3
SCHEMBL20137337 0.79 AAK1 (0.33) PLCG1CYP2C19ATRTRPV1AAK1
SCHEMBL24107224 0.78 MEN1 (0.34) TRPV1AAK1CNR2LMNAMEN1
SCHEMBL31515052 0.78 MEN1 (0.34) TRPV1AAK1CNR2LMNAMEN1

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 15 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
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
US-20210024507-A1 Compounds STEP PHARMA S A S (FR) 2021-01-28 US disclosed
EP-3768674-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS Step Pharma S.A.S. (FR) 2021-01-27 EP 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
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
EP-3543232-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS Step Pharma S.A.S. (FR) 2019-09-25 EP disclosed
EP-3543232-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS Step Pharma S.A.S. (FR) 2019-09-25 EP 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 PLCG1 4414/4885CYP2C19 33/4885ATR 1350/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 PLCG1 4414/4885CYP2C19 33/4885ATR 1350/4885

“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.