SCHEMBL24310774

SCHEMBL24310774

CCc1c(Oc2cccc(N3CCN(C)CC3)c2Cl)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1cccnc1OC(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 4/20 0.37
▸ EGFR P00533 6/20 0.35
▸ ROS1 P08922 1/20 0.33
▸ HTR1A P08908 4/20 0.33
▸ DRD2 P14416 3/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ HTR7 P34969 3/20 0.32
▸ ADRA1D P25100 2/20 0.32
▸ ADRA1A P35348 2/20 0.32
▸ ADRA1B P35368 2/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ PDE1A P54750 1/20 0.32
▸ PDE1B Q01064 1/20 0.32
▸ PDE1C Q14123 1/20 0.32
▸ CYBB P04839 1/20 0.31
▸ TNK2 Q07912 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
SCHEMBL29566446 1.00 ALK (0.37) ALKEGFRROS1HTR1ADRD2
SCHEMBL26811548 0.94 ALK (0.33) ALKEGFRHTR1ADRD2DRD4
SCHEMBL26811542 0.93 ALK (0.37) ALKEGFRHTR1ADRD2DRD4
SCHEMBL26811416 0.92 EGFR (0.38) ALKEGFRROS1HTR1ADRD2
SCHEMBL26811564 0.91 HTR1A (0.35) EGFRHTR1ADRD2DRD4HTR2A
SCHEMBL26811393 0.88 HTR1A (0.36) EGFRHTR1ADRD2DRD4HTR2A
SCHEMBL29566861 0.88 HTR1A (0.36) EGFRHTR1ADRD2DRD4HTR2A
SCHEMBL26811618 0.88 DRD2 (0.35) ALKEGFRROS1HTR1ADRD2
SCHEMBL24309480 0.88 DRD2 (0.39) EGFRHTR1ADRD2DRD4HTR2A
SCHEMBL29566746 0.88 HTR1A (0.38) EGFRHTR1ADRD2DRD4HTR2A

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 ALK 2616/4885EGFR 818/4885ROS1 4033/4885

“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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