SCHEMBL26811522

SCHEMBL26811522

CCc1c(Cc2ccccc2)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1ccccc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.37
▸ HTR7 P34969 2/20 0.37
▸ PIK3CG P48736 3/20 0.36
▸ PIK3CD O00329 2/20 0.36
▸ PIK3CB P42338 2/20 0.36
▸ MTOR P42345 1/20 0.36
▸ PCK1 P35558 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ EGFR P00533 2/20 0.33
▸ FGFR1 P11362 2/20 0.33
▸ KDR P35968 2/20 0.33
▸ NMT1 P30419 2/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LIMK2 P53671 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ MALT1 Q9UDY8 1/20 0.33
▸ CREBBP Q92793 1/20 0.32

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
SCHEMBL24309497 0.89 HTR1A (0.40) HTR1AHTR7PIK3CGPIK3CDPIK3CB
SCHEMBL29566902 0.89 HTR1A (0.40) HTR1AHTR7PIK3CGPIK3CDPIK3CB
SCHEMBL24310066 0.85 HTR1A (0.38) HTR1AHTR7PIK3CGPIK3CDPIK3CB
SCHEMBL26811501 0.83 HTR1A (0.39) HTR1AHTR7PIK3CGPIK3CDPIK3CB
SCHEMBL29566856 0.81 HTR1A (0.41) HTR1AHTR7PIK3CGPIK3CDPIK3CB
SCHEMBL24310357 0.81 HTR1A (0.41) HTR1AHTR7PIK3CGPIK3CDPIK3CB
SCHEMBL24309587 0.79 HTR1A (0.36) HTR1AHTR7PIK3CGPIK3CDPIK3CB
SCHEMBL26811477 0.79 HTR1A (0.39) HTR1AHTR7PIK3CGPIK3CDPIK3CB
SCHEMBL26811486 0.78 HTR1A (0.37) HTR1AHTR7PCK1KDRKDM5A
SCHEMBL29566407 0.78 HTR1A (0.38) HTR1AHTR7PIK3CGPIK3CDPIK3CB

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 2 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

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 4018/4885HTR7 3833/4885PIK3CG 533/4885

“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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