SCHEMBL24310530

SCHEMBL24310530

Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2cc(F)cc(N3CCN(C)CC3)c2)c1C(F)(F)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 2/20 0.34
▸ BRD4 O60885 3/20 0.33
▸ TACR1 P25103 3/20 0.33
▸ HTR1A P08908 2/20 0.33
▸ HTR7 P34969 2/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ CTSC P53634 2/20 0.32
▸ MAP4K1 Q92918 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ FGFR4 P22455 2/20 0.31
▸ IGF1R P08069 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ GAA P10253 1/20 0.30

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
SCHEMBL29566997 1.00 RAD52 (0.34) RAD52BRD4TACR1HTR1AHTR7
SCHEMBL24310777 0.92 HTR1A (0.38) RAD52BRD4TACR1HTR1AHTR7
SCHEMBL29566715 0.92 HTR1A (0.38) RAD52BRD4TACR1HTR1AHTR7
SCHEMBL29566963 0.92 RAD52 (0.36) RAD52BRD4TACR1HTR1AHTR7
SCHEMBL24310187 0.92 RAD52 (0.36) RAD52BRD4TACR1HTR1AHTR7
SCHEMBL24309520 0.90 SCN9A (0.35) BRD4HTR1AHTR7JAK2
SCHEMBL29566590 0.90 SCN9A (0.35) BRD4HTR1AHTR7JAK2
SCHEMBL24310497 0.89 RAD52 (0.36) RAD52BRD4MAP4K1IGF1REGFR
SCHEMBL29567138 0.89 RAD52 (0.36) RAD52BRD4MAP4K1IGF1REGFR
SCHEMBL29567137 0.89 RAD52 (0.36) RAD52BRD4MAP4K1IGF1REGFR

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 1716/4885TACR1 164/4885

“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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