SCHEMBL24309887

SCHEMBL24309887

Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2ccc(N3CCN(C)CC3)cc2)c1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.39
▸ BRD4 O60885 6/20 0.37
▸ HTR6 P50406 3/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ MAP4K1 Q92918 1/20 0.36
▸ HTR7 P34969 3/20 0.35
▸ HTR1A P08908 2/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL29567333 1.00 RAD52 (0.39) RAD52BRD4HTR6HTR2CMAP4K1
SCHEMBL24309717 0.94 RAD52 (0.39) RAD52BRD4HTR6HTR2CMAP4K1
SCHEMBL29567239 0.94 RAD52 (0.39) RAD52BRD4HTR6HTR2CMAP4K1
SCHEMBL24310689 0.92 HTR7 (0.39) RAD52BRD4HTR6HTR2CHTR7
SCHEMBL24309391 0.90 RAD52 (0.37) RAD52BRD4HTR6HTR2CMAP4K1
SCHEMBL29567576 0.90 RAD52 (0.37) RAD52BRD4HTR6HTR2CMAP4K1
SCHEMBL26808700 0.90 HTR1A (0.38) HTR6HTR7HTR1AALDH1A1GAA
SCHEMBL29567000 0.89 PDE2A (0.40) RAD52BRD4MAP4K1PDE2APDE10A
SCHEMBL24310422 0.89 PDE2A (0.40) RAD52BRD4MAP4K1PDE2APDE10A
SCHEMBL29567356 0.89 RAD52 (0.39) RAD52BRD4HTR6HTR2CMAP4K1

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 3 patents. 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
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B RAD52 4705/4885BRD4 1716/4885HTR6 2653/4885

“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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