SCHEMBL23327205

SCHEMBL23327205

COc1ccc(-n2cccc(N)c2=O)nn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TYK2 P29597 3/20 0.38
NNMT P40261 1/20 0.36
LMNA P02545 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
JAK2 O60674 1/20 0.31
ADRA2B P18089 1/20 0.31
PTGS1 P23219 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
BRD9 Q9H8M2 1/20 0.30
BRD7 Q9NPI1 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL29868212 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL20689571 0.86 TYK2 (0.50) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL16794599 0.81 TYK2 (0.36) ALDH1A1KDM4EMAPTHSD17B10TYK2
SCHEMBL30452728 0.81 TYK2 (0.36) ALDH1A1KDM4EMAPTHSD17B10TYK2
SCHEMBL16812363 0.77 OPRM1 (0.41) MAPTNNMTSMN1; SMN2JAK2
SCHEMBL20689381 0.77 TYK2 (0.40) ALDH1A1MAPTTYK2
SCHEMBL23327412 0.75 TYK2 (0.42) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL20689327 0.74 CHRM4 (0.32) TYK2
SCHEMBL16812414 0.73 OPRM1 (0.34)
SCHEMBL25434246 0.71 MAPT (0.33) KDM4EMAPT

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
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
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 ALDH1A1 3949/4885KDM4E 828/4885MAPT 2684/4885
US-20230348478-A1 TYK2 PSEUDOKINASE LIGANDS TYK2, JAK2, PTK2B ALDH1A1 4812/4885KDM4E 2268/4885MAPT 1240/4885
US-20210139486-A1 TYK2 PSEUDOKINASE LIGANDS TYK2, JAK2, PTK2B ALDH1A1 4812/4885KDM4E 2268/4885MAPT 1240/4885

“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.