SCHEMBL26528983

SCHEMBL26528983

CC(F)(F)COc1ncc(-c2ccc(=O)n(Cc3cncc(Cl)c3)n2)cn1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 7/20 0.42
▸ GRIN2B Q13224 7/20 0.42
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ MET P08581 5/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.37

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
SCHEMBL23528333 0.92 MET (0.40) GRIN1GRIN2BPDE4APDE4BPDE4C
SCHEMBL26527994 0.91 MET (0.40) GRIN1GRIN2BPDE4APDE4BPDE4C
SCHEMBL26530932 0.89 MET (0.43) GRIN1GRIN2BPDE4APDE4BPDE4C
SCHEMBL23528280 0.89 MET (0.43) GRIN1GRIN2BPDE4APDE4BPDE4C
SCHEMBL29569490 0.89 MET (0.43) GRIN1GRIN2BPDE4APDE4BPDE4C
SCHEMBL26529054 0.84 MET (0.46) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL23528304 0.83 MET (0.43) GRIN1GRIN2BPDE4APDE4BPDE4C
SCHEMBL26528009 0.82 MET (0.42) GRIN1GRIN2BPDE4APDE4BPDE4C
SCHEMBL26527952 0.82 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DMET
SCHEMBL23528553 0.82 MET (0.43) GRIN1GRIN2BPDE4APDE4BPDE4C

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-20230321091-A1 SUBSTITUTED PYRIDAZINONES FOR USE IN THE TREATMENT OF NEUROMUSCULAR DISEASES EDGEWISE THERAPEUTICS, INC. 2023-10-12 — — 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-20230321091-A1 SUBSTITUTED PYRIDAZINONES FOR USE IN THE TREATMENT OF NEUROMUSCULAR DISEASES IL6, MUSK, SMN1; SMN2 GRIN1 728/4885GRIN2B 1553/4885PDE4A 305/4885

“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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