SCHEMBL26856599

SCHEMBL26856599

CNCCNc1ccc(Oc2cc(-c3c(C)cccc3C)nc(NS(=O)(=O)c3cnn(C)c3)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ BRD4 O60885 4/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ ADRA2B P18089 1/20 0.33
▸ PCK1 P35558 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ PDGFRB P09619 3/20 0.32
▸ SRC P12931 3/20 0.32
▸ HTR1A P08908 2/20 0.32
▸ HTR7 P34969 2/20 0.32
▸ KDR P35968 2/20 0.32
▸ CCNT1 O60563 1/20 0.31
▸ CCNB2 O95067 1/20 0.31
▸ CCNE2 O96020 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CCNB1 P14635 1/20 0.31

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
SCHEMBL26856953 0.92 SMN1; SMN2 (0.36) TSHRSMN1; SMN2BRD4PIK3CDPIK3CB
SCHEMBL26810006 0.92 BRD4 (0.34) TSHRSMN1; SMN2BRD4PIK3CDPIK3CB
SCHEMBL26856740 0.91 TSHR (0.35) TSHRSMN1; SMN2BRD4PIK3CDPIK3CB
SCHEMBL26857058 0.91 TSHR (0.36) TSHRSMN1; SMN2BRD4PIK3CDPIK3CB
SCHEMBL26856788 0.90 HTR1A (0.34) TSHRSMN1; SMN2BRD4PIK3CDPIK3CB
SCHEMBL26856825 0.90 MKNK1 (0.38) TSHRSMN1; SMN2BRD4PIK3CDPIK3CB
SCHEMBL26856649 0.90 IRAK1 (0.34) TSHRSMN1; SMN2BRD4PIK3CDPIK3CB
SCHEMBL26857077 0.90 PTGDR2 (0.35) TSHRSMN1; SMN2BRD4KDREGFR
SCHEMBL26856978 0.89 CACNA1B (0.37) BRD4PIK3CDPIK3CBMTORPIK3CG
SCHEMBL26810238 0.87 SMN1; SMN2 (0.38) TSHRSMN1; SMN2BRD4PIK3CDPIK3CB

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 TSHR 1755/4885SMN1; SMN2 4847/4885BRD4 1716/4885

“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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