SCHEMBL23327622

SCHEMBL23327622

[2H]C([2H])([2H])N(Cc1ccc(OC)cc1)c1cc(Cl)nc2c([N+](=O)[O-])cnn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ MERTK Q12866 1/20 0.38
▸ DCTPP1 Q9H773 3/20 0.37
▸ TXNRD1 Q16881 1/20 0.37
▸ BMP1 P13497 1/20 0.35
▸ PTPN1 P18031 1/20 0.34
▸ PTPN12 Q05209 1/20 0.34
▸ PTPN22 Q9Y2R2 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAF1 P04049 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ PIK3CA P42336 1/20 0.33

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
SCHEMBL23327454 0.93 MAPT (0.42) MAPTPOLBMERTKDCTPP1TXNRD1
SCHEMBL31245696 0.79 KDM4E (0.42) MAPTPOLBPTPN1ALDH1A1NPC1
SCHEMBL23327500 0.76 ALDH1A1 (0.43) MAPTPOLBPTPN1ALDH1A1NPC1
SCHEMBL26098304 0.75 PTPN1 (0.49) MAPTPOLBPTPN1ALDH1A1HPGD
SCHEMBL31126648 0.72 MAPT (0.36) MAPTPOLBBMP1ALDH1A1LMNA
SCHEMBL23327537 0.72 NR3C2 (0.38) POLBPTPN1ALDH1A1NPC1
SCHEMBL21811192 0.72 KDM4E (0.44) MAPTPOLBPTPN1ALDH1A1LMNA
SCHEMBL29344675 0.71 ALDH1A1 (0.34) POLBPTPN1ALDH1A1CCNT1CDK9
SCHEMBL23327703 0.71 KDM4E (0.36) MAPTPOLBPTPN1ALDH1A1MAPK1
SCHEMBL23351205 0.70 ALDH1A1 (0.35) POLBPTPN1ALDH1A1LMNANPC1

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 5 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-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 MAPT 2684/4885POLB 1472/4885MERTK 275/4885
US-20230348478-A1 TYK2 PSEUDOKINASE LIGANDS TYK2, JAK2, PTK2B MAPT 1240/4885POLB 2160/4885MERTK 52/4885
US-20210139486-A1 TYK2 PSEUDOKINASE LIGANDS TYK2, JAK2, PTK2B MAPT 1240/4885POLB 2160/4885MERTK 52/4885

“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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