SCHEMBL24330522

SCHEMBL24330522

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

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.39
▸ DHFR P00374 4/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ ADORA2A P29274 3/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ EGFR P00533 1/20 0.33
▸ KMT2A Q03164 1/20 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
SCHEMBL29515400 1.00 LMNA (0.39) LMNADHFRHSP90AA1ADORA2AADORA1
SCHEMBL24330396 0.86 HSP90AA1 (0.42) DHFRHSP90AA1ADORA2AADORA1KMT2A
SCHEMBL29515320 0.86 HSP90AA1 (0.42) DHFRHSP90AA1ADORA2AADORA1KMT2A
SCHEMBL29515291 0.81 DHFR (0.46) LMNADHFRADORA2AADORA1EGFR
SCHEMBL24331166 0.81 DHFR (0.46) LMNADHFRADORA2AADORA1EGFR
SCHEMBL24331524 0.79 GABRA1 (0.36) DHFRHSP90AA1ADORA2AADORA1KMT2A
SCHEMBL30588845 0.79 MCHR1 (0.40) DHFRHSP90AA1ADORA2AADORA1
SCHEMBL29515213 0.79 GABRA1 (0.36) DHFRHSP90AA1ADORA2AADORA1KMT2A
SCHEMBL26126504 0.79 MCHR1 (0.40) DHFRHSP90AA1ADORA2AADORA1
SCHEMBL24330556 0.77 NOS3 (0.35) DHFRHSP90AA1ADORA2AADORA1

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 LMNA 3964/4885DHFR 2100/4885HSP90AA1 1237/4885

“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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