SCHEMBL21392028

SCHEMBL21392028

COC(=O)C1(c2cncc(Cl)n2)CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ LPAR1 Q92633 1/20 0.35
▸ CHRM3 P20309 1/20 0.34
▸ OPRL1 P41146 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ LMNA P02545 3/20 0.32
▸ TP53 P04637 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ ANO1 Q5XXA6 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL30416303 0.77 CTPS1 (0.38) CYP2C19CYP3A4CYP2C9PKM
SCHEMBL21392175 0.77 CTPS1 (0.38) CYP2C19CYP3A4CYP2C9PKM
SCHEMBL21392141 0.75 ANO1 (0.39) CYP2C19CYP3A4CYP2C9PKMALDH1A1
SCHEMBL23089140 0.73 AKR1C3 (0.40) CYP2C19CYP3A4CYP2C9PKMALDH1A1
SCHEMBL22758535 0.72 OPRM1 (0.39) CHRM3ALDH1A1MEN1KMT2A
SCHEMBL22869122 0.71 PDE5A (0.38) CYP2C19CYP3A4CYP2C9PKMALDH1A1
SCHEMBL21330037 0.71 CDK2 (0.32) —
SCHEMBL21329912 0.71 CDK2 (0.32) —
SCHEMBL21329911 0.71 CDK2 (0.32) —
SCHEMBL25374633 0.70 CYP2C19 (0.39) CYP2C19CYP3A4CYP2C9PKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250282756-A1 Aminopyrimidine/pyrazine derivatives as CTPS1 inhibitors STEP PHARMA S.A.S. (FR) 2025-09-11 — — US disclosed
US-12371419-B2 Aminopyrimidine/pyrazine derivatives as CTPS1 inhibitors STEP PHARMA S.A.S. (FR) 2025-07-29 — — US disclosed
US-20250066324-A1 AMINOPYRIMIDINE/PYRAZINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2025-02-27 — — US disclosed
US-11987573-B2 Aminopyrimidine/pyrazine derivatives as CTPS1 inhibitors STEP PHARMA S.A.S. (FR) 2024-05-21 — — US disclosed
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
CN-112839938-B Aminopyrimidine/pyrazine derivatives as CTPS1 inhibitors 斯泰普制药股份公司 2023-07-07 — — 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-20230192673-A1 Compounds STEP PHARMA S.A.S. (FR) 2023-06-22 — — US disclosed
US-20210387965-A1 Compounds STEP PHARMA S.A.S. (FR) 2021-12-16 — — US disclosed
CN-112839938-A Aminopyrimidine/pyrazine derivatives as CTPS1 inhibitors 斯泰普制药股份公司 2021-05-25 — — CN 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 (7 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-12371419-B2 Aminopyrimidine/pyrazine derivatives as CTPS1 inhibitors CTPS1, CTPS2, TYMS CYP2C19 801/4885CYP3A4 950/4885CYP2C9 1251/4885
US-20250282756-A1 Aminopyrimidine/pyrazine derivatives as CTPS1 inhibitors CTPS1, CTPS2, TYMS CYP2C19 900/4885CYP3A4 1020/4885CYP2C9 1398/4885
US-20250066324-A1 AMINOPYRIMIDINE/PYRAZINE DERIVATIVES AS CTPS1 INHIBITORS CTPS1, CTPS2, TYMS CYP2C19 801/4885CYP3A4 950/4885CYP2C9 1251/4885
US-20210024507-A1 Compounds CYP1A1, UGT1A1, CYP1A2 CYP2C19 33/4885CYP3A4 13/4885CYP2C9 15/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 CYP2C19 33/4885CYP3A4 13/4885CYP2C9 15/4885
US-20210387965-A1 Compounds CYP1A1, UGT1A1, CYP1B1 CYP2C19 29/4885CYP3A4 19/4885CYP2C9 16/4885
US-11987573-B2 Aminopyrimidine/pyrazine derivatives as CTPS1 inhibitors CTPS1, CTPS2, TYMS CYP2C19 801/4885CYP3A4 950/4885CYP2C9 1251/4885

“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.

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