SCHEMBL24309771

SCHEMBL24309771

CN1CCC(c2ccc(Oc3nc(NS(=O)(=O)c4cnn(C)c4)nc(Cl)c3C(F)(F)F)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 5/20 0.35
▸ BRD4 O60885 3/20 0.34
▸ BRAF P15056 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ MAP4K1 Q92918 2/20 0.34
▸ MAP4K3 Q8IVH8 1/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ ALK Q9UM73 1/20 0.33
▸ SLC8A1 P32418 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ SLC6A9 P48067 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ MEN1 O00255 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
SCHEMBL29567013 1.00 PTK2 (0.35) PTK2BRD4BRAFKDRMAP4K1
SCHEMBL29567027 0.89 BRD4 (0.35) PTK2BRD4BRAFKDRMAP4K1
SCHEMBL24309451 0.89 BRD4 (0.35) PTK2BRD4BRAFKDRMAP4K1
SCHEMBL26808605 0.88 HTR1A (0.34) PTK2BRD4BRAFKDRSCN9A
SCHEMBL29566398 0.87 MAP4K3 (0.35) BRD4MAP4K1MAP4K3SCN9AALK
SCHEMBL24309437 0.87 MAP4K3 (0.35) BRD4MAP4K1MAP4K3SCN9AALK
SCHEMBL24310648 0.87 AURKA (0.37) BRD4KDRLMNAMAPTHTT
SCHEMBL29566415 0.87 AURKA (0.37) BRD4KDRLMNAMAPTHTT
SCHEMBL24309367 0.87 CTSC (0.42) BRD4EGFRHTR7JAK2
SCHEMBL29566620 0.87 CTSC (0.42) BRD4EGFRHTR7JAK2

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 PTK2 3114/4885BRD4 1716/4885BRAF 3030/4885

“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