SCHEMBL23327428

SCHEMBL23327428

O=[N+]([O-])c1cnn2c(Cl)cc(Cl)nc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PKM P14618 3/20 0.38
PDE10A Q9Y233 1/20 0.38
ALDH1A1 P00352 4/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.36
DHFR P00374 1/20 0.33
AHR P35869 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
PIK3CA P42336 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GSR P00390 1/20 0.32
TXNRD1 Q16881 1/20 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
SCHEMBL6855708 0.84 ALDH1A1 (0.50) POLBL3MBTL1PKMALDH1A1KDM4E
SCHEMBL14050797 0.81 POLB (0.39) POLBL3MBTL1PKMALDH1A1LMNA
SCHEMBL26253848 0.81 PKM (0.42) POLBL3MBTL1PKMALDH1A1LMNA
SCHEMBL7447843 0.81 ALDH1A1 (0.41) POLBL3MBTL1PKMALDH1A1KDM4E
SCHEMBL23327762 0.78 CDK2 (0.38) POLBL3MBTL1PKMALDH1A1LMNA
SCHEMBL12953072 0.73 PDE10A (0.46) PDE10AALDH1A1KDM4EMAPTRAB9A
SCHEMBL11603518 0.71 KDM4E (0.54) POLBL3MBTL1PKMALDH1A1KDM4E
SCHEMBL17747503 0.71 PIK3CA (0.52) PIK3CAGSRTXNRD1
SCHEMBL3319549 0.70 PDE10A (0.43) PDE10AALDH1A1KDM4EMAPTRAB9A
SCHEMBL23994248 0.70 PDE10A (0.43) PDE10AALDH1A1KDM4EMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114929226-B TYK2 pseudokinase ligands 温缇克斯生物科学公司 2024-09-27 CN 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
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 POLB 1472/4885L3MBTL1 1320/4885PKM 630/4885
US-20230348478-A1 TYK2 PSEUDOKINASE LIGANDS TYK2, JAK2, PTK2B POLB 2160/4885L3MBTL1 2413/4885PKM 796/4885
US-20210139486-A1 TYK2 PSEUDOKINASE LIGANDS TYK2, JAK2, PTK2B POLB 2160/4885L3MBTL1 2413/4885PKM 796/4885

“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.