SCHEMBL29515213

SCHEMBL29515213

Cc1cccc(CC(C)C)c1-c1nc(N)nc(Cl)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ADORA2A P29274 4/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ TNF P01375 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NOD1 Q9Y239 1/20 0.33
▸ CTSA P10619 1/20 0.32
▸ ADORA1 P30542 2/20 0.32
▸ DHFR P00374 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ HEXA P06865 1/20 0.31
▸ HEXB P07686 1/20 0.31

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
SCHEMBL24331524 1.00 GABRA1 (0.36) GABRA1GABRB2HSP90AA1KDM4EALDH1A1
SCHEMBL24330556 0.87 NOS3 (0.35) HSP90AA1ADORA2ANPC1JAK2TNF
SCHEMBL29515019 0.87 NOS3 (0.35) HSP90AA1ADORA2ANPC1JAK2TNF
SCHEMBL29515335 0.84 ADORA2A (0.32) GABRA1GABRB2HSP90AA1ADORA2ACTSA
SCHEMBL24331489 0.84 ADORA2A (0.32) GABRA1GABRB2HSP90AA1ADORA2ACTSA
SCHEMBL24330533 0.83 HSP90AA1 (0.35) HSP90AA1KDM4EALDH1A1SMN1; SMN2ADORA2A
SCHEMBL29515009 0.83 HSP90AA1 (0.35) HSP90AA1KDM4EALDH1A1SMN1; SMN2ADORA2A
SCHEMBL24330396 0.82 HSP90AA1 (0.42) HSP90AA1ALDH1A1ADORA2ANPC1JAK2
SCHEMBL29515320 0.82 HSP90AA1 (0.42) HSP90AA1ALDH1A1ADORA2ANPC1JAK2
SCHEMBL24330488 0.81 HSP90AA1 (0.34) HSP90AA1ADORA2ANPC1JAK2TNF

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250340574-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2025-11-06 — — US disclosed
EP-4504739-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2025-02-12 — — EP disclosed
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-23 — — US disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 — — WO disclosed
EP-4225761-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076620-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 (2 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-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B GABRA1 932/4885GABRB2 465/4885HSP90AA1 1237/4885
US-20250340574-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B GABRA1 919/4885GABRB2 339/4885HSP90AA1 1225/4885

“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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