SCHEMBL24309999

SCHEMBL24309999

CCc1c(Oc2cccc(N3CCN(C)CC3)c2Cl)nc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)nc1-c1ccccc1OC(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.36
▸ ADRA1D P25100 4/20 0.33
▸ ADRA1A P35348 4/20 0.33
▸ ADRA1B P35368 4/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ BRPF1 P55201 1/20 0.33
▸ BRD9 Q9H8M2 1/20 0.33
▸ DRD2 P14416 6/20 0.32
▸ HTR1A P08908 2/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ HTR6 P50406 2/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ TNK2 Q07912 1/20 0.32
▸ ROS1 P08922 1/20 0.31
▸ ALK Q9UM73 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
SCHEMBL29567063 1.00 EGFR (0.36) EGFRADRA1DADRA1AADRA1BBRD4
SCHEMBL29566832 0.92 EGFR (0.32) EGFRBRD4BRPF1BRD9DRD2
SCHEMBL24309428 0.92 EGFR (0.32) EGFRBRD4BRPF1BRD9DRD2
SCHEMBL29567289 0.92 PAK1 (0.36) EGFRADRA1DADRA1AADRA1BBRD4
SCHEMBL24309950 0.92 PAK1 (0.36) EGFRADRA1DADRA1AADRA1BBRD4
SCHEMBL26811416 0.92 EGFR (0.38) EGFRADRA1DADRA1AADRA1BBRD4
SCHEMBL24309904 0.91 HTR1A (0.33) EGFRBRD4BRPF1BRD9DRD2
SCHEMBL29566593 0.91 DRD2 (0.36) BRD4BRPF1BRD9DRD2HTR1A
SCHEMBL24309884 0.91 DRD2 (0.36) BRD4BRPF1BRD9DRD2HTR1A
SCHEMBL24309431 0.88 HTR1A (0.37) EGFRBRD4BRPF1BRD9DRD2

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
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US 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 EGFR 818/4885ADRA1D 1608/4885ADRA1A 1713/4885

“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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