SCHEMBL29566806

SCHEMBL29566806

Cc1cccc(C)c1-c1nc(NS(=O)(=O)c2cnn(C)c2)cc(C2(c3ccccc3)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 3/20 0.38
▸ PIK3CB P42338 2/20 0.38
▸ PIK3CG P48736 2/20 0.38
▸ MTOR P42345 1/20 0.38
▸ EGFR P00533 3/20 0.38
▸ FGFR1 P11362 3/20 0.38
▸ KDR P35968 3/20 0.38
▸ PDPK1 O15530 2/20 0.37
▸ PIK3R1 P27986 2/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ AADAT Q8N5Z0 1/20 0.33
▸ NLRP3 Q96P20 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ HTR1A P08908 2/20 0.33
▸ HTR7 P34969 2/20 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
SCHEMBL24310199 1.00 PIK3CD (0.38) PIK3CDPIK3CBPIK3CGMTOREGFR
SCHEMBL24309463 0.83 PDPK1 (0.41) PIK3CDPIK3CBPIK3CGMTOREGFR
SCHEMBL29566879 0.83 PDPK1 (0.41) PIK3CDPIK3CBPIK3CGMTOREGFR
SCHEMBL24310200 0.79 PDPK1 (0.38) PIK3CDPDPK1PIK3R1
SCHEMBL24309722 0.76 HTR1A (0.38) EGFRFGFR1KDRPDPK1ALDH1A1
SCHEMBL29566520 0.76 HTR1A (0.38) EGFRFGFR1KDRPDPK1ALDH1A1
SCHEMBL24309462 0.76 PDPK1 (0.40) PIK3CDPIK3CBPIK3CGEGFRFGFR1
SCHEMBL29567139 0.76 PDPK1 (0.40) PIK3CDPIK3CBPIK3CGEGFRFGFR1
SCHEMBL24310198 0.69 LMNA (0.38) PIK3CDPDPK1PIK3R1HSD11B1
SCHEMBL24310206 0.69 ADORA2A (0.36) PIK3CDPDPK1PIK3R1HTR7

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
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP 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 PIK3CD 368/4885PIK3CB 655/4885PIK3CG 533/4885

“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