SCHEMBL26808704

SCHEMBL26808704

COc1c(Oc2ccc(N3CCN(C)CC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1ccccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ BRD4 O60885 2/20 0.38
▸ FGFR4 P22455 2/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ ADAM17 P78536 1/20 0.37
▸ MAP4K1 Q92918 1/20 0.37
▸ IGF1R P08069 1/20 0.37
▸ EGFR P00533 5/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ TNK2 Q07912 1/20 0.35

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
SCHEMBL29566801 0.92 NOD2 (0.39) MAPTSMN1; SMN2IGF1REGFRJAK3
SCHEMBL24309903 0.92 NOD2 (0.39) MAPTSMN1; SMN2IGF1REGFRJAK3
SCHEMBL26808712 0.92 HTR7 (0.41) RAD52BRD4FGFR4IGF1REGFR
SCHEMBL29567576 0.92 RAD52 (0.37) RAD52MAPTSMN1; SMN2BRD4MAP4K1
SCHEMBL24309391 0.92 RAD52 (0.37) RAD52MAPTSMN1; SMN2BRD4MAP4K1
SCHEMBL29567356 0.91 RAD52 (0.39) RAD52MAPTSMN1; SMN2BRD4FGFR4
SCHEMBL24310422 0.91 PDE2A (0.40) RAD52BRD4MAP4K1EGFRPDE2A
SCHEMBL26808918 0.91 RAD52 (0.39) RAD52MAPTSMN1; SMN2BRD4FGFR4
SCHEMBL29567000 0.91 PDE2A (0.40) RAD52BRD4MAP4K1EGFRPDE2A
SCHEMBL24309384 0.89 HTR1A (0.39) SMN1; SMN2EGFRTSHRKMT2AALDH1A1

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 2 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

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 RAD52 4705/4885MAPT 4864/4885SMN1; SMN2 4847/4885

“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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