SCHEMBL24310165

SCHEMBL24310165

Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2ccc(C3CCCN(C)C3)cc2)c1C(F)(F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 1/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD5 P21918 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ PTK2 Q05397 1/20 0.33
▸ ACVR1 Q04771 1/20 0.33
▸ HTR1A P08908 4/20 0.33
▸ HTR7 P34969 4/20 0.33
▸ LSS P48449 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TNK2 Q07912 1/20 0.31
▸ EDNRA P25101 3/20 0.31
▸ CCND1 P24385 1/20 0.31
▸ CDK6 Q00534 1/20 0.31
▸ PCK1 P35558 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
SCHEMBL29567193 1.00 GHSR (0.34) GHSRDRD2DRD1DRD4DRD5
SCHEMBL24310782 0.93 DRD2 (0.37) GHSRDRD2DRD1DRD4DRD5
SCHEMBL29566839 0.93 DRD2 (0.37) GHSRDRD2DRD1DRD4DRD5
SCHEMBL24309541 0.92 HTR1A (0.34) DRD2PTK2HTR1AHTR7PCK1
SCHEMBL24310103 0.87 HTR1A (0.33) PTK2HTR1AHTR7TNK2
SCHEMBL29566882 0.87 HTR1A (0.33) PTK2HTR1AHTR7TNK2
SCHEMBL24309772 0.86 HTR1A (0.35) DRD2PTK2HTR1AHTR7CCND1
SCHEMBL29567305 0.85 BRD4 (0.35) DRD2PTK2HTR1AHTR7PCK1
SCHEMBL26812416 0.85 BRD4 (0.35) DRD2PTK2HTR1AHTR7PCK1
SCHEMBL24310187 0.85 RAD52 (0.36) DRD3HTR1AHTR7

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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
WO-2022076627-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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B GHSR 1869/4885DRD2 4505/4885DRD1 4701/4885

“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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