SCHEMBL29567192

SCHEMBL29567192

Cc1cccc(C)c1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2ccc(C3CCN(C)CC3)cc2)c1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.36
▸ SCN9A Q15858 2/20 0.34
▸ PTK2 Q05397 7/20 0.33
▸ FLT4 P35916 2/20 0.33
▸ MAP4K1 Q92918 2/20 0.33
▸ HTR1A P08908 3/20 0.32
▸ HTR7 P34969 3/20 0.32
▸ SLC8A1 P32418 1/20 0.32
▸ BRAF P15056 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CCND3 P30281 1/20 0.32
▸ CDK7 P50613 1/20 0.32
▸ CDK9 P50750 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
SCHEMBL26808522 1.00 BRD4 (0.36) BRD4SCN9APTK2FLT4MAP4K1
SCHEMBL26811978 0.94 BRD4 (0.35) BRD4SCN9APTK2FLT4MAP4K1
SCHEMBL26808540 0.93 PTK2 (0.34) BRD4SCN9APTK2FLT4MAP4K1
SCHEMBL26808599 0.92 BRD4 (0.35) BRD4SCN9APTK2MAP4K1HTR1A
SCHEMBL24309772 0.92 HTR1A (0.35) BRD4SCN9APTK2FLT4HTR1A
SCHEMBL26808563 0.90 BRD4 (0.34) BRD4SCN9APTK2FLT4MAP4K1
SCHEMBL24309455 0.90 BRD4 (0.37) BRD4SCN9APTK2FLT4MAP4K1
SCHEMBL24309993 0.89 BRD4 (0.36) BRD4SCN9APTK2MAP4K1HTR1A
SCHEMBL29566770 0.89 BRD4 (0.36) BRD4SCN9APTK2MAP4K1HTR1A
SCHEMBL26808566 0.88 SCN9A (0.36) BRD4SCN9APTK2MAP4K1HTR1A

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 BRD4 1716/4885SCN9A 385/4885PTK2 3114/4885

“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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