SCHEMBL29754326

SCHEMBL29754326

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.38
▸ CCR2 P41597 3/20 0.37
▸ PDE1B Q01064 7/20 0.36
▸ NR3C1 P04150 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ASPH Q12797 1/20 0.34
▸ KDM8 Q8N371 1/20 0.34
▸ TAS2R14 Q9NYV8 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ BCL2A1 Q16548 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
SCHEMBL16794676 0.93 PDE1B (0.40) PTPN1CCR2PDE1BNR3C1ALDH1A1
SCHEMBL31245703 0.89 MAPT (0.40) PDE1BALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL18161034 0.85 PDE1B (0.41) PTPN1PDE1BNR3C1ALDH1A1HTT
SCHEMBL24263381 0.84 PDE1B (0.39) PTPN1PDE1BNR3C1ALDH1A1HTT
SCHEMBL30452720 0.84 TYK2 (0.39) PDE1BNR3C1MEN1KMT2A
SCHEMBL3017547 0.84 BCL2A1 (0.40) CCR2PDE1BNR3C1SMN1; SMN2TAS2R14
SCHEMBL26102728 0.84 MAPT (0.41) PTPN1CCR2PDE1BNR3C1ALDH1A1
SCHEMBL16812352 0.83 PDE1B (0.38) PDE1BNR3C1ALDH1A1HTTSMN1; SMN2
SCHEMBL16794693 0.82 MAPT (0.42) PDE1BALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL16812355 0.81 ALDH1A1 (0.39) PDE1BNR3C1ALDH1A1HTTSMN1; SMN2

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 4 patents. 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
EP-4281458-A1 IMIDAZOLOPYRIDAZINE OR PYRAZOLOPYRIMIDINE COMPOUNDS AND COMPOSITIONS Anrui Biomedical Technology (Guangzhou) Co., Ltd. (CN) 2023-11-29 — — EP disclosed
CN-115916207-A Five-membered and six-membered heterocyclic compounds and application thereof as protein receptor kinase inhibitors 轶诺(浙江)药业有限公司 2023-04-04 — — CN disclosed
WO-2022156657-A1 IMIDAZOLOPYRIDAZINE OR PYRAZOLOPYRIMIDINE COMPOUNDS AND COMPOSITIONS ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2022-07-28 — — WO 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 PTPN1 178/4885CCR2 949/4885PDE1B 918/4885

“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.

Send feedback