SCHEMBL23327482

SCHEMBL23327482

COc1ccc(CN(C)c2cc(Nc3cccc4c3OCCO4)nc3c(NC(N)=O)cnn23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRAS P01112 1/20 0.36
▸ KRAS P01116 1/20 0.36
▸ TYK2 P29597 4/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ ZAP70 P43403 1/20 0.34
▸ KARS1 Q15046 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ STAT3 P40763 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ CSF1R P07333 2/20 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
SCHEMBL23327588 0.92 TYK2 (0.37) HRASKRASTYK2PDE4DKDM4E
SCHEMBL26993043 0.81 TYK2 (0.38) TYK2
SCHEMBL23351255 0.80 ALDH1A1 (0.32) HRASKRASALDH1A1
SCHEMBL22092672 0.79 TYK2 (0.47) TYK2KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL23327537 0.78 NR3C2 (0.38) ZAP70KARS1KDM4EALDH1A1L3MBTL1
SCHEMBL23327768 0.78 TYK2 (0.51) TYK2PDE4DSTAT3
SCHEMBL29344717 0.77 CDK2 (0.33) HRASKRAS
SCHEMBL29344696 0.77 CRHR1 (0.33) HRASKRAS
SCHEMBL29344684 0.76 POLB (0.30) —
SCHEMBL22092677 0.76 TYK2 (0.44) TYK2KDM4EALDH1A1L3MBTL1MAPT

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 6 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-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
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 HRAS 1909/4885KRAS 1934/4885TYK2 1/4885
US-20230348478-A1 TYK2 PSEUDOKINASE LIGANDS TYK2, JAK2, PTK2B HRAS 479/4885KRAS 933/4885TYK2 1/4885
US-20210139486-A1 TYK2 PSEUDOKINASE LIGANDS TYK2, JAK2, PTK2B HRAS 479/4885KRAS 933/4885TYK2 1/4885

“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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