SCHEMBL31245690

SCHEMBL31245690

COc1ccc(CN(C)c2cc(Nc3cccn(-c4ccccn4)c3=O)nc3c(C(=O)NC4CCn5ccnc54)cnn23)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.58
▸ STAT3 P40763 1/20 0.58
▸ JAK1 P23458 2/20 0.55
▸ JAK2 O60674 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55

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
SCHEMBL31245701 0.87 TYK2 (0.64) TYK2STAT3JAK1JAK2CYP3A4
SCHEMBL31245714 0.84 TYK2 (0.54) TYK2STAT3JAK1JAK2CYP3A4
SCHEMBL29754461 0.82 TYK2 (0.83) TYK2STAT3JAK1JAK2CYP3A4
SCHEMBL31245692 0.81 POLB (0.39) TYK2STAT3
SCHEMBL21887373 0.79 TYK2 (0.59) TYK2STAT3
SCHEMBL21887786 0.79 TYK2 (0.69) TYK2STAT3
SCHEMBL21887371 0.78 TYK2 (0.62) TYK2STAT3
SCHEMBL21961707 0.78 TYK2 (0.75) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL21947232 0.78 TYK2 (0.75) TYK2JAK1JAK2CYP3A4CYP2C19
SCHEMBL30162010 0.78 TYK2 (0.62) TYK2STAT3

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 1/4885STAT3 768/4885JAK1 3/4885

“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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