SCHEMBL23528829

SCHEMBL23528829

C[C@H](Sc1nc(N)c(SC#N)c(O)n1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.38
CXCR2 P25025 6/20 0.36
CX3CR1 P49238 5/20 0.36
ADORA1 P30542 1/20 0.36
TSHR P16473 2/20 0.35
PKM P14618 2/20 0.35
DAO P14920 2/20 0.34
ADORA3 P0DMS8 3/20 0.34
ALDH1A2 O94788 1/20 0.32
ALDH1A3 P47895 1/20 0.32
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
NOS2 P35228 1/20 0.32
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL23528831 1.00 MPO (0.38) MPOCXCR2CX3CR1ADORA1TSHR
SCHEMBL23111758 1.00 MPO (0.38) MPOCXCR2CX3CR1ADORA1TSHR
SCHEMBL23563198 0.78 MPO (0.36) MPOCXCR2CX3CR1ADORA1TSHR
SCHEMBL489989 0.70 MPO (0.48) MPOCXCR2CX3CR1ADORA1PKM
SCHEMBL23111620 0.70 MPO (0.48) MPOCXCR2CX3CR1ADORA1PKM
SCHEMBL1588262 0.70 MPO (0.48) MPOCXCR2CX3CR1ADORA1PKM
SCHEMBL1589414 0.69 CX3CR1 (0.61) CXCR2CX3CR1ADORA1
SCHEMBL30914153 0.69 CX3CR1 (0.61) CXCR2CX3CR1ADORA1
SCHEMBL23528824 0.69 CX3CR1 (0.61) CXCR2CX3CR1ADORA1
SCHEMBL21615410 0.66 CX3CR1 (0.60) MPOCXCR2CX3CR1ADORA1

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
US-20250230170-A1 Process for the Steroselective Preparation of Chiral 2-[(Hetero)Arylalkylsulfanyl]Pyrimidines and Products Obtainable Therefrom KANCERA AB (SE) 2025-07-17 US disclosed
US-12264165-B2 Process for the stereoselective preparation of chiral 2-[(hetero) arylalkylsulfanyl]pyrimidines and products obtainable therefrom KANCERA AB (SE) 2025-04-01 US disclosed
US-20230322807-A1 Process for the Steroselective Preparation of Chiral 2-[(Hetero)Arylalkylsulfanyl]Pyrimidines and Products Obtainable Therefrom KANCERA AB (SE) 2023-10-12 US disclosed
US-20230322807-A1 Process for the Steroselective Preparation of Chiral 2-[(Hetero)Arylalkylsulfanyl]Pyrimidines and Products Obtainable Therefrom KANCERA AB (SE) 2023-10-12 US disclosed
US-20230322807-A1 Process for the Steroselective Preparation of Chiral 2-[(Hetero)Arylalkylsulfanyl]Pyrimidines and Products Obtainable Therefrom KANCERA AB (SE) 2023-10-12 US disclosed
US-11691988-B2 Process for the stereoselective preparation of chiral 2-[(hetero)arylalkylsulfanyl]pyrimidines and products obtainable therefrom KANCERA AB (SE) 2023-07-04 US disclosed
US-11691988-B2 Process for the stereoselective preparation of chiral 2-[(hetero)arylalkylsulfanyl]pyrimidines and products obtainable therefrom KANCERA AB (SE) 2023-07-04 US disclosed
US-11691988-B2 Process for the stereoselective preparation of chiral 2-[(hetero)arylalkylsulfanyl]pyrimidines and products obtainable therefrom KANCERA AB (SE) 2023-07-04 US disclosed
US-20230068240-A1 A Process for the Steroselective Preparation of Chiral 2-[(Hetero)Arylalkylsulfanyl]Pyrimidines and Products Obtainable Therefrom KANCERA AB (SE) 2023-03-02 US disclosed
US-20230068240-A1 A Process for the Steroselective Preparation of Chiral 2-[(Hetero)Arylalkylsulfanyl]Pyrimidines and Products Obtainable Therefrom KANCERA AB (SE) 2023-03-02 US disclosed
US-11542281-B2 Process for the steroselective preparation of chiral 2- [(hetero)arylalkylsulfanyl] pyrimidines and products obtainable therefrom KANCERA AB (SE) 2023-01-03 US disclosed
US-11542281-B2 Process for the steroselective preparation of chiral 2- [(hetero)arylalkylsulfanyl] pyrimidines and products obtainable therefrom KANCERA AB (SE) 2023-01-03 US disclosed
US-20210188873-A1 A Process for the Steroselective Preparation of Chiral 2-[(Hetero)Arylalkylsulfanyl]Pyrimidines and Products Obtainable Therefrom KANCERA AB (SE) 2021-06-24 US disclosed
US-20210188873-A1 A Process for the Steroselective Preparation of Chiral 2-[(Hetero)Arylalkylsulfanyl]Pyrimidines and Products Obtainable Therefrom KANCERA AB (SE) 2021-06-24 US disclosed
CN-112218853-A Process for the stereoselective preparation of chiral 2- [ (hetero) aralkylthio ] pyrimidines and products obtainable therefrom 坎塞拉有限公司 2021-01-12 CN 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-20230322807-A1 Process for the Steroselective Preparation of Chiral 2-[(Hetero)Arylalkylsulfanyl]Pyrimidines and Products Obtainable Therefrom CYP2S1, CYP2B6, CYP2F1 MPO 3793/4885CXCR2 1814/4885CX3CR1 3602/4885
US-12264165-B2 Process for the stereoselective preparation of chiral 2-[(hetero) arylalkylsulfanyl]pyrimidines and products obtainable therefrom CYP2B6, CYP2S1, CYP2D6 MPO 3365/4885CXCR2 430/4885CX3CR1 1795/4885
US-11542281-B2 Process for the steroselective preparation of chiral 2- [(hetero)arylalkylsulfanyl] pyrimidines and products obtainable therefrom CYP2S1, CYP2B6, CYP2F1 MPO 3793/4885CXCR2 1814/4885CX3CR1 3602/4885
US-20210188873-A1 A Process for the Steroselective Preparation of Chiral 2-[(Hetero)Arylalkylsulfanyl]Pyrimidines and Products Obtainable Therefrom CYP2S1, CYP2B6, TYMS MPO 3774/4885CXCR2 1602/4885CX3CR1 3509/4885
US-20230068240-A1 A Process for the Steroselective Preparation of Chiral 2-[(Hetero)Arylalkylsulfanyl]Pyrimidines and Products Obtainable Therefrom CYP2S1, CYP2B6, TYMS MPO 3774/4885CXCR2 1602/4885CX3CR1 3509/4885
US-20250230170-A1 Process for the Steroselective Preparation of Chiral 2-[(Hetero)Arylalkylsulfanyl]Pyrimidines and Products Obtainable Therefrom CYP2S1, CYP2B6, CYP2F1 MPO 3793/4885CXCR2 1814/4885CX3CR1 3602/4885
US-11691988-B2 Process for the stereoselective preparation of chiral 2-[(hetero)arylalkylsulfanyl]pyrimidines and products obtainable therefrom CYP2B6, CYP2S1, CYP2D6 MPO 3365/4885CXCR2 430/4885CX3CR1 1795/4885

“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.