SCHEMBL29566455

SCHEMBL29566455

Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Cl)c1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 3/20 0.37
▸ HTR7 P34969 3/20 0.37
▸ RXFP1 Q9HBX9 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PIK3CG P48736 3/20 0.34
▸ PIK3CD O00329 2/20 0.34
▸ PIK3CB P42338 2/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ MALT1 Q9UDY8 1/20 0.34
▸ CCNT1 O60563 3/20 0.33
▸ CCNB2 O95067 3/20 0.33
▸ CCNE2 O96020 3/20 0.33
▸ CDK1 P06493 3/20 0.33
▸ CCNB1 P14635 3/20 0.33
▸ CCNE1 P24864 3/20 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
SCHEMBL24309547 1.00 HTR1A (0.37) HTR1AHTR7RXFP1KMT2APIK3CG
SCHEMBL24309608 0.92 HTR1A (0.36) HTR1AHTR7RXFP1KMT2APIK3CG
SCHEMBL24309875 0.90 HTR1A (0.39) HTR1AHTR7RXFP1KMT2APIK3CG
SCHEMBL24309502 0.90 HTR1A (0.35) HTR1AHTR7RXFP1KMT2APIK3CG
SCHEMBL24309379 0.88 HTR1A (0.39) HTR1AHTR7RXFP1KMT2APIK3CG
SCHEMBL24310057 0.86 HTR1A (0.38) HTR1AHTR7RXFP1KMT2APIK3CG
SCHEMBL29566809 0.86 HTR1A (0.38) HTR1AHTR7RXFP1KMT2APIK3CG
SCHEMBL24309824 0.86 BRAF (0.40) HTR1AHTR7RXFP1KMT2APIK3CG
SCHEMBL29566687 0.86 HTR1A (0.39) HTR1AHTR7PTPN11SCN9ACCNT1
SCHEMBL24310066 0.85 HTR1A (0.38) HTR1AHTR7RXFP1KMT2APIK3CG

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
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP 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 4018/4885HTR7 3833/4885RXFP1 318/4885

“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.

Send feedback