SCHEMBL23828315

SCHEMBL23828315

Cc1cc(C(=O)N2Cc3c([nH]c4ccncc34)C(C)(C)C2)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 13/20 0.46
▸ NAMPT P43490 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTR2A P28223 1/20 0.37
▸ KDM5A P29375 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL23828239 0.73 CFTR (0.67) CFTR
SCHEMBL23828237 0.67 CFTR (0.52) CFTRHTR2A
SCHEMBL31020987 0.66 CFTR (0.70) CFTR
SCHEMBL23828257 0.66 CFTR (0.78) CFTRMAPT
SCHEMBL31020947 0.66 CFTR (0.78) CFTRMAPT
SCHEMBL29910393 0.64 PLA2G1B (0.43) CFTRHTR2AKDM5A
SCHEMBL23828253 0.63 CFTR (1.00) CFTR
SCHEMBL21787536 0.61 HTR2A (0.57) CFTRHTR2AKDM5AHRH4
SCHEMBL17546291 0.59 HTR2A (0.52) HTR2AKDM5A
SCHEMBL23828291 0.59 CFTR (0.79) CFTR

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
EP-3820867-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2023-09-13 — — EP claimed
US-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2021-09-23 — — US claimed
EP-3820867-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2023-09-13 — — EP 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-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, ABCC5 CFTR 1/4885NAMPT 2770/4885MAPT 4258/4885

“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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