SCHEMBL24330396

SCHEMBL24330396

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.42
▸ ADORA2A P29274 4/20 0.40
▸ KMT2A Q03164 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ TNF P01375 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NOD1 Q9Y239 1/20 0.37
▸ NUDT1 P36639 3/20 0.36
▸ ADORA1 P30542 3/20 0.36
▸ SRC P12931 2/20 0.36
▸ DHFR P00374 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ ADORA2B P29275 1/20 0.35

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
SCHEMBL29515320 1.00 HSP90AA1 (0.42) HSP90AA1ADORA2AKMT2ANPC1JAK2
SCHEMBL29515400 0.86 LMNA (0.39) HSP90AA1ADORA2AKMT2AADORA1DHFR
SCHEMBL24330522 0.86 LMNA (0.39) HSP90AA1ADORA2AKMT2AADORA1DHFR
SCHEMBL24331187 0.83 PDE10A (0.39) HSP90AA1ADORA2AKMT2A
SCHEMBL29515271 0.83 PDE10A (0.39) HSP90AA1ADORA2AKMT2A
SCHEMBL24330488 0.82 HSP90AA1 (0.34) HSP90AA1ADORA2AKMT2ANPC1JAK2
SCHEMBL29515213 0.82 GABRA1 (0.36) HSP90AA1ADORA2AKMT2ANPC1JAK2
SCHEMBL30588845 0.82 MCHR1 (0.40) HSP90AA1ADORA2ANUDT1ADORA1DHFR
SCHEMBL24331524 0.82 GABRA1 (0.36) HSP90AA1ADORA2AKMT2ANPC1JAK2
SCHEMBL29515202 0.82 HSP90AA1 (0.34) HSP90AA1ADORA2AKMT2ANPC1JAK2

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-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
US-20230365587-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-16 — — US disclosed
US-20230365587-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-16 — — 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 (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 HSP90AA1 1237/4885ADORA2A 1783/4885KMT2A 4686/4885
US-20230365587-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B HSP90AA1 1333/4885ADORA2A 1874/4885KMT2A 4656/4885

“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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