SCHEMBL24331937

SCHEMBL24331937

Cc1cccc(C)c1-c1nc(N)nc(Cl)c1OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 4/20 0.42
▸ HSP90AB1 P08238 2/20 0.39
▸ ADORA2A P29274 5/20 0.34
▸ ADORA1 P30542 4/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ DHFR P00374 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ TNF P01375 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NOD1 Q9Y239 1/20 0.32
▸ SCN4A P35499 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TSHR P16473 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
SCHEMBL24331124 0.83 HSP90AA1 (0.45) HSP90AA1HSP90AB1ADORA2AADORA1
SCHEMBL29515175 0.83 HSP90AA1 (0.45) HSP90AA1HSP90AB1ADORA2AADORA1
SCHEMBL30588845 0.79 MCHR1 (0.40) HSP90AA1HSP90AB1ADORA2AADORA1MCHR1
SCHEMBL24309819 0.77 HSP90AA1 (0.40) HSP90AA1HSP90AB1ADORA2AADORA1MCHR1
SCHEMBL24330396 0.76 HSP90AA1 (0.42) HSP90AA1ADORA2AADORA1DHFRKMT2A
SCHEMBL29515320 0.76 HSP90AA1 (0.42) HSP90AA1ADORA2AADORA1DHFRKMT2A
SCHEMBL24331931 0.75 LCK (0.31) —
SCHEMBL29515203 0.75 LCK (0.31) —
SCHEMBL24331365 0.73 HSP90AA1 (0.41) HSP90AA1ADORA2AADORA1KMT2A
SCHEMBL24331073 0.73 HSP90AA1 (0.41) HSP90AA1ADORA2AADORA1KMT2A

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-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-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 1237/4885HSP90AB1 843/4885ADORA2A 1783/4885

“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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