SCHEMBL31245703

SCHEMBL31245703

[2H]C([2H])([2H])N(Cc1ccc(OC)cc1)c1cc(Cl)nn2c(C(=O)OCC)cnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ P2RY12 Q9H244 1/20 0.38
▸ PDE1B Q01064 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ADORA1 P30542 2/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ MEN1 O00255 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
SCHEMBL16794693 0.94 MAPT (0.42) MAPTGAAIDO1P2RY12PDE1B
SCHEMBL29754326 0.89 PTPN1 (0.38) PDE1BSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL16794646 0.85 MAPT (0.40) MAPTGAAIDO1P2RY12PDE1B
SCHEMBL20504499 0.84 MAPT (0.39) MAPTGAAIDO1P2RY12PDE1B
SCHEMBL22229054 0.83 MEN1 (0.45) MAPTPOLBTDP1L3MBTL1SMN1; SMN2
SCHEMBL16794676 0.82 PDE1B (0.40) PDE1BSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL18161034 0.82 PDE1B (0.41) PDE1BSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL24263381 0.81 PDE1B (0.39) PDE1BSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL30452720 0.81 TYK2 (0.39) PDE1BMEN1KMT2A
SCHEMBL16812493 0.80 NR3C1 (0.39) MAPTPDE1BSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240335443-A1 IMIDAZOLOPYRIDAZINE OR PYRAZOLOPYRIMIDINE COMPOUNDS AND COMPOSITIONS ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2024-10-10 — — 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 (1 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-20240335443-A1 IMIDAZOLOPYRIDAZINE OR PYRAZOLOPYRIMIDINE COMPOUNDS AND COMPOSITIONS TYK2, PTK2B, JAK1 MAPT 1000/4885GAA 2835/4885IDO1 284/4885

“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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