SCHEMBL26856649

SCHEMBL26856649

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK1 P51617 4/20 0.34
▸ IRAK4 Q9NWZ3 2/20 0.34
▸ KDR P35968 4/20 0.34
▸ EGFR P00533 3/20 0.34
▸ FGFR1 P11362 3/20 0.34
▸ BRD4 O60885 2/20 0.34
▸ JAK1 P23458 1/20 0.33
▸ MTOR P42345 2/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ CDK1 P06493 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ SMG1 Q96Q15 1/20 0.32
▸ PGR P06401 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
SCHEMBL26810006 0.95 BRD4 (0.34) IRAK1IRAK4KDREGFRFGFR1
SCHEMBL26856978 0.92 CACNA1B (0.37) BRD4MTORPIK3CDPIK3CBPIK3CG
SCHEMBL26856953 0.91 SMN1; SMN2 (0.36) IRAK4KDRBRD4MTORPIK3CD
SCHEMBL26856599 0.90 TSHR (0.34) KDREGFRFGFR1BRD4JAK1
SCHEMBL26814696 0.90 MTOR (0.36) IRAK1IRAK4JAK1MTORPIK3CD
SCHEMBL26857077 0.90 PTGDR2 (0.35) KDREGFRFGFR1BRD4JAK1
SCHEMBL26856740 0.89 TSHR (0.35) KDREGFRFGFR1BRD4MTOR
SCHEMBL26856825 0.89 MKNK1 (0.38) KDRFGFR1BRD4MTORPIK3CD
SCHEMBL26856788 0.89 HTR1A (0.34) KDREGFRFGFR1BRD4MTOR
SCHEMBL26810260 0.88 EGFR (0.37) KDREGFRFGFR1SRC

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 IRAK1 2877/4885IRAK4 1601/4885KDR 4439/4885

“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