SCHEMBL23327537

SCHEMBL23327537

COc1ccc(CN(C)c2cc(Cl)nc3c(NC(N)=O)cnn23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ZAP70 P43403 1/20 0.38
▸ KARS1 Q15046 1/20 0.38
▸ PTPN1 P18031 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ NCOR2 Q9Y618 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ UBE2M P61081 1/20 0.36

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
SCHEMBL23327703 0.90 KDM4E (0.36) ALDH1A1KMT2AHTTKDM4EL3MBTL1
SCHEMBL23351205 0.85 ALDH1A1 (0.35) ALDH1A1KMT2AHTTKDM4EL3MBTL1
SCHEMBL23351083 0.83 LMNA (0.47) KMT2A
SCHEMBL26098304 0.83 PTPN1 (0.49) ALDH1A1KMT2AHTTKDM4EL3MBTL1
SCHEMBL23327491 0.82 TRPV1 (0.46) ALDH1A1KMT2AHTTKDM4EMEN1
SCHEMBL23327500 0.82 ALDH1A1 (0.43) ALDH1A1KMT2AHTTKDM4EL3MBTL1
SCHEMBL23327453 0.81 LMNA (0.42) ALDH1A1KMT2AKDM4EMEN1
SCHEMBL29930766 0.81 LMNA (0.42) ALDH1A1KMT2AKDM4EMEN1
SCHEMBL21811192 0.79 KDM4E (0.44) ALDH1A1HTTKDM4EL3MBTL1NPSR1
SCHEMBL23327482 0.78 HRAS (0.36) NR3C2ALDH1A1HTTKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348478-A1 TYK2 PSEUDOKINASE LIGANDS VENTYX BIOSCIENCES, INC. 2023-11-02 — — US disclosed
US-20230348478-A1 TYK2 PSEUDOKINASE LIGANDS VENTYX BIOSCIENCES, INC. 2023-11-02 — — US disclosed
US-20230348478-A1 TYK2 PSEUDOKINASE LIGANDS VENTYX BIOSCIENCES, INC. 2023-11-02 — — US disclosed
US-11753411-B2 Substituted pyrazolo[1,5-a]pyrimidines as TYK2 pseudokinase ligands VENTYX BIOSCIENCES, INC. (US) 2023-09-12 — — US disclosed
US-11753411-B2 Substituted pyrazolo[1,5-a]pyrimidines as TYK2 pseudokinase ligands VENTYX BIOSCIENCES, INC. (US) 2023-09-12 — — US disclosed
US-11753411-B2 Substituted pyrazolo[1,5-a]pyrimidines as TYK2 pseudokinase ligands VENTYX BIOSCIENCES, INC. (US) 2023-09-12 — — US disclosed
EP-4054581-A1 TYK2 PSEUDOKINASE LIGANDS Ventyx Biosciences, Inc. (US) 2022-09-14 — — EP disclosed
CN-114929226-A TYK2 pseudokinase ligands 温缇克斯生物科学公司 2022-08-19 — — CN disclosed
US-20210139486-A1 TYK2 PSEUDOKINASE LIGANDS VENTYX BIOSCIENCES, INC. 2021-05-13 — — 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 (3 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-11753411-B2 Substituted pyrazolo[1,5-a]pyrimidines as TYK2 pseudokinase ligands TYK2, JAK1, JAK2 NR3C2 3179/4885ALDH1A1 3949/4885KMT2A 819/4885
US-20230348478-A1 TYK2 PSEUDOKINASE LIGANDS TYK2, JAK2, PTK2B NR3C2 2069/4885ALDH1A1 4812/4885KMT2A 901/4885
US-20210139486-A1 TYK2 PSEUDOKINASE LIGANDS TYK2, JAK2, PTK2B NR3C2 2069/4885ALDH1A1 4812/4885KMT2A 901/4885

“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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