SCHEMBL26856880

SCHEMBL26856880

Cc1cccc(C)c1-c1cc(Oc2ccc(NC3CCN(C)C3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 6/20 0.36
▸ HTR7 P34969 6/20 0.36
▸ CCNK O75909 1/20 0.35
▸ CDK12 Q9NYV4 1/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ ROCK2 O75116 4/20 0.33
▸ PCK1 P35558 1/20 0.33
▸ SGK1 O00141 1/20 0.33
▸ AXL P30530 1/20 0.33
▸ JAK1 P23458 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL26856630 0.95 BRD4 (0.38) HTR1AHTR7CCNKCDK12DRD2
SCHEMBL26814726 0.90 CCNA2 (0.40) HTR1AHTR7CCNKCDK12DRD2
SCHEMBL26857014 0.90 PTGS2 (0.37) HTR1AHTR7PCK1AXLJAK1
SCHEMBL26856925 0.88 HTR1A (0.34) HTR1AHTR7DRD2HTR6PCK1
SCHEMBL26856905 0.87 MKNK1 (0.37) HTR1AHTR7
SCHEMBL24310170 0.86 BRD4 (0.38) HTR1AHTR7BRD4TSHRSMN1; SMN2
SCHEMBL26810065 0.86 JAK1 (0.37) HTR1AHTR7CCNKCDK12JAK1
SCHEMBL26806489 0.85 CCNA2 (0.42) HTR1AHTR7CCNKCDK12DRD2
SCHEMBL26857058 0.85 TSHR (0.36) HTR1AHTR7BRD4PCK1JAK1
SCHEMBL24310120 0.85 HTR1A (0.32) HTR1AHTR7DRD2HTR6BRD4

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 1 patent. 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

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 3833/4885CCNK 4186/4885

“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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