SCHEMBL24330533

SCHEMBL24330533

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 4/20 0.35
▸ ADORA2A P29274 6/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MPO P05164 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ TNF P01375 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NOD1 Q9Y239 1/20 0.31
▸ ADORA1 P30542 3/20 0.30
▸ CD38 P28907 1/20 0.30
▸ DCPS Q96C86 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL29515009 1.00 HSP90AA1 (0.35) HSP90AA1ADORA2ANPC1RAB9ATP53
SCHEMBL24331524 0.83 GABRA1 (0.36) HSP90AA1ADORA2ANPC1RAB9ASMN1; SMN2
SCHEMBL29515213 0.83 GABRA1 (0.36) HSP90AA1ADORA2ANPC1RAB9ASMN1; SMN2
SCHEMBL29515019 0.81 NOS3 (0.35) HSP90AA1ADORA2ANPC1RAB9AJAK2
SCHEMBL24330556 0.81 NOS3 (0.35) HSP90AA1ADORA2ANPC1RAB9AJAK2
SCHEMBL24330396 0.79 HSP90AA1 (0.42) HSP90AA1ADORA2ANPC1RAB9AJAK2
SCHEMBL29515320 0.79 HSP90AA1 (0.42) HSP90AA1ADORA2ANPC1RAB9AJAK2
SCHEMBL24331143 0.79 — —
SCHEMBL29515221 0.79 — —
SCHEMBL24330488 0.78 HSP90AA1 (0.34) HSP90AA1ADORA2ANPC1RAB9AJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-23 — — US 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
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 (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-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B HSP90AA1 1237/4885ADORA2A 1783/4885NPC1 218/4885

“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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