SCHEMBL26814536

SCHEMBL26814536

CNc1ccc(Oc2cc(-c3c(C)cccc3C)nc(NS(=O)(=O)c3cnn(C)c3)n2)cn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ MAP4K1 Q92918 10/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HTR1A P08908 2/20 0.34
▸ HTR7 P34969 2/20 0.34
▸ JAK1 P23458 1/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ GPR39 O43194 1/20 0.32
▸ SLC8A1 P32418 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
SCHEMBL26814500 0.91 HTR1A (0.36) PIK3CDPIK3CBMTORPIK3CGMAP4K1
SCHEMBL26814517 0.90 SMN1; SMN2 (0.38) PIK3CDPIK3CBMTORPIK3CGMAP4K1
SCHEMBL29566346 0.89 HTR1A (0.36) PIK3CDPIK3CBMTORPIK3CGMAP4K1
SCHEMBL24309393 0.89 HTR1A (0.36) PIK3CDPIK3CBMTORPIK3CGMAP4K1
SCHEMBL26814554 0.89 ALDH1A1 (0.39) PIK3CDPIK3CBMTORPIK3CGMAP4K1
SCHEMBL29566987 0.89 CDK2 (0.40) PIK3CDPIK3CBMTORPIK3CGMAP4K1
SCHEMBL24309394 0.89 CDK2 (0.40) PIK3CDPIK3CBMTORPIK3CGMAP4K1
SCHEMBL26857058 0.89 TSHR (0.36) PIK3CDPIK3CBMTORPIK3CGTSHR
SCHEMBL26814683 0.88 MKNK1 (0.38) PIK3CDPIK3CBMTORPIK3CGMAP4K1
SCHEMBL26806466 0.88 HTR1A (0.34) PIK3CDPIK3CBMTORPIK3CGMAP4K1

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 1 patent. 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

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 PIK3CD 368/4885PIK3CB 655/4885MTOR 627/4885

“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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