SCHEMBL24330469

SCHEMBL24330469

Cc1ccc(C(F)(F)F)c(C)c1-c1nc(N)nc(Cl)c1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ XPO1 O14980 5/20 0.34
▸ AGPAT2 O15120 1/20 0.32
▸ ADORA2A P29274 4/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.31
▸ HSP90AB1 P08238 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
SCHEMBL29515208 0.83 PTPN1 (0.32) ADORA2APTPN1HSP90AA1HSP90AB1
SCHEMBL24331938 0.83 PTPN1 (0.32) ADORA2APTPN1HSP90AA1HSP90AB1
SCHEMBL29515168 0.78 ADORA2A (0.39) AGPAT2ADORA2AHSP90AA1HSP90AB1
SCHEMBL26688117 0.78 ADORA2A (0.39) AGPAT2ADORA2AHSP90AA1HSP90AB1
SCHEMBL29515331 0.77 ALDH1A1 (0.35) —
SCHEMBL29515335 0.72 ADORA2A (0.32) ADORA2AHSP90AA1
SCHEMBL24331489 0.72 ADORA2A (0.32) ADORA2AHSP90AA1
SCHEMBL23851630 0.69 KDM4E (0.36) ADORA2AHSP90AA1HSP90AB1
SCHEMBL30242514 0.66 ADORA2A (0.56) ADORA2APTPN1HSP90AA1HSP90AB1
SCHEMBL13199206 0.66 AR (0.41) —

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-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-23 — — US 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
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 XPO1 2009/4885AGPAT2 1530/4885ADORA2A 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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