SCHEMBL24310777

SCHEMBL24310777

Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2cccc(N3CCN(C)CC3)c2)c1C(F)(F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ CTSC P53634 2/20 0.37
▸ RAD52 P43351 2/20 0.37
▸ BRD4 O60885 2/20 0.35
▸ GUSB P08236 1/20 0.34
▸ FGFR4 P22455 1/20 0.34
▸ JAK2 O60674 3/20 0.34
▸ EGFR P00533 6/20 0.33
▸ JAK3 P52333 2/20 0.33
▸ TACR1 P25103 1/20 0.33
▸ PTK2 Q05397 1/20 0.33
▸ TNK2 Q07912 1/20 0.33
▸ NUAK1 O60285 1/20 0.33
▸ NUAK2 Q9H093 1/20 0.33
▸ IGF1R P08069 1/20 0.33

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
SCHEMBL29566715 1.00 HTR1A (0.38) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL24309842 0.94 CTSC (0.39) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL29566963 0.93 RAD52 (0.36) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL24310187 0.93 RAD52 (0.36) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL29566980 0.92 HTR1A (0.40) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL24310151 0.92 HTR1A (0.40) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL29566997 0.92 RAD52 (0.34) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL24310530 0.92 RAD52 (0.34) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL24310497 0.90 RAD52 (0.36) RAD52BRD4EGFRJAK3PTK2
SCHEMBL29567137 0.90 RAD52 (0.36) RAD52BRD4EGFRJAK3PTK2

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 HTR1A 4018/4885HTR2A 3630/4885HTR2C 4185/4885

“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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