SCHEMBL21381576

SCHEMBL21381576

O=S(=O)(Nc1ccnc(Cl)n1)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 9/20 0.43
▸ SCN9A Q15858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ ABL1 P00519 1/20 0.37
▸ PIK3C3 Q8NEB9 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ CKS1B P61024 2/20 0.36
▸ SKP2 Q13309 2/20 0.36
▸ MAP4K1 Q92918 1/20 0.36
▸ PRKCI P41743 1/20 0.35

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
SCHEMBL31678766 0.73 PTGS1 (0.44) CTPS1SCN9ATDP1PIK3C3PTGS1
SCHEMBL30339221 0.73 PTGS1 (0.44) CTPS1SCN9ATDP1PIK3C3PTGS1
SCHEMBL16742870 0.73 CTPS1 (0.44) CTPS1SCN9ATDP1ABL1PIK3C3
SCHEMBL30620587 0.73 CTPS1 (0.51) CTPS1SCN9APTGS1PTGS2CKS1B
SCHEMBL23887607 0.72 SYK (0.42) SCN9APIK3C3
SCHEMBL14830949 0.71 TSHR (0.53) TDP1PTGS1PTGS2CKS1BSKP2
SCHEMBL30339075 0.71 TSHR (0.53) TDP1PTGS1PTGS2CKS1BSKP2
SCHEMBL22758491 0.71 CTPS1 (0.36) CTPS1SCN9ATDP1ABL1PIK3C3
SCHEMBL30620605 0.71 PRKCI (0.41) CTPS1SCN9ATDP1ABL1PIK3C3
SCHEMBL31678837 0.71 PTGS1 (0.43) CTPS1SCN9ATDP1ABL1PIK3C3

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 12 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-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

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 CTPS1 2586/4885SCN9A 1275/4885TDP1 3715/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 CTPS1 2586/4885SCN9A 1275/4885TDP1 3715/4885

“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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