SCHEMBL31245709

SCHEMBL31245709

[2H]C([2H])([2H])N(Cc1ccc(OC)cc1)c1cc(Nc2cccn(-c3ncccc3F)c2=O)nn2c(C(=O)N[C@@H]3C[C@H]4CCO[C@H]43)cnc12

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 20/20 0.53

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
SCHEMBL31245691 0.87 TYK2 (0.42) TYK2
SCHEMBL31245737 0.84 TYK2 (0.46) TYK2
SCHEMBL29754414 0.84 TYK2 (0.69) TYK2
SCHEMBL29754619 0.83 TYK2 (0.76) TYK2
SCHEMBL31245712 0.81 TYK2 (0.45) TYK2
SCHEMBL31245724 0.80 TYK2 (0.53) TYK2
SCHEMBL29754467 0.80 PDE1B (0.34) —
SCHEMBL31245705 0.80 TYK2 (0.47) TYK2
SCHEMBL30612385 0.80 PDE1B (0.33) —
SCHEMBL31245700 0.78 TYK2 (0.51) TYK2

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 TYK2 1/4885

“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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