SCHEMBL24309824

SCHEMBL24309824

Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Cl)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.40
▸ BRD4 O60885 1/20 0.38
▸ HTR1A P08908 2/20 0.38
▸ HTR7 P34969 2/20 0.38
▸ KAT6A Q92794 1/20 0.36
▸ KAT5 Q92993 1/20 0.36
▸ PCK1 P35558 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ MALT1 Q9UDY8 1/20 0.35
▸ CCNB2 O95067 6/20 0.34
▸ CDK1 P06493 6/20 0.34
▸ CCNB1 P14635 6/20 0.34
▸ CDK5 Q00535 6/20 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
SCHEMBL24309875 0.90 HTR1A (0.39) BRAFBRD4HTR1AHTR7PCK1
SCHEMBL24309379 0.90 HTR1A (0.39) BRAFBRD4HTR1AHTR7PCK1
SCHEMBL24310057 0.88 HTR1A (0.38) BRAFBRD4HTR1AHTR7PCK1
SCHEMBL29566809 0.88 HTR1A (0.38) BRAFBRD4HTR1AHTR7PCK1
SCHEMBL24309412 0.87 HTR1A (0.36) BRAFBRD4HTR1AHTR7PCK1
SCHEMBL24310066 0.87 HTR1A (0.38) BRAFBRD4HTR1AHTR7PCK1
SCHEMBL24309608 0.86 HTR1A (0.36) BRAFBRD4HTR1AHTR7KAT6A
SCHEMBL24309383 0.86 HTR1A (0.39) HTR1AHTR7KMT2ARXFP1TSHR
SCHEMBL24309547 0.86 HTR1A (0.37) BRAFBRD4HTR1AHTR7KAT6A
SCHEMBL24309375 0.86 HTR1A (0.37) BRAFBRD4HTR1AHTR7KMT2A

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 5 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
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
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 BRAF 3030/4885BRD4 1716/4885HTR1A 4018/4885

“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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