SCHEMBL26880433

SCHEMBL26880433

CC(=O)Nc1ncc(S(=O)(=O)Nc2nc(Oc3ccccc3)cc(-c3ccccc3)n2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.45
▸ ADORA1 P30542 1/20 0.45
▸ PIK3CA P42336 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ AKT1 P31749 2/20 0.39
▸ MTOR P42345 2/20 0.39
▸ ACHE P22303 1/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ GPR39 O43194 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL26812853 0.84 MAPK1 (0.45) MEN1KMT2AMAPK1TDP1ALDH1A1
SCHEMBL26812973 0.80 MEN1 (0.61) ADORA3ADORA1MEN1KMT2AALDH1A1
SCHEMBL26812942 0.76 MAPK1 (0.47) ADORA3ADORA1MEN1KMT2AMAPK1
SCHEMBL26812978 0.75 MAPK1 (0.49) MEN1KMT2AMAPK1TDP1ALDH1A1
SCHEMBL26806813 0.74 MAPT (0.61) MEN1KMT2AMAPK1TDP1ALDH1A1
SCHEMBL26812993 0.72 MAPK1 (0.48) ADORA3ADORA1MEN1KMT2AMAPK1
SCHEMBL26813002 0.72 GPR39 (0.53) MEN1KMT2AMAPK1TDP1ALDH1A1
SCHEMBL26813023 0.72 MAPT (0.58) MEN1KMT2AMAPK1TDP1ALDH1A1
SCHEMBL24309652 0.72 TDP1 (0.50) ADORA1MEN1KMT2AMAPK1TDP1
SCHEMBL29567152 0.72 TDP1 (0.50) ADORA1MEN1KMT2AMAPK1TDP1

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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B ADORA3 1590/4885ADORA1 1287/4885PIK3CA 667/4885

“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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