SCHEMBL26811575

SCHEMBL26811575

CCc1c(Oc2cccc(N3CCN(C)CC3)c2Cl)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1cccnc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 2/20 0.37
▸ DRD2 P14416 5/20 0.36
▸ DRD3 P35462 5/20 0.36
▸ HTR2A P28223 3/20 0.36
▸ HTR2C P28335 3/20 0.36
▸ HTR1A P08908 3/20 0.36
▸ DRD4 P21917 3/20 0.36
▸ PAK1 Q13153 4/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ HTR7 P34969 2/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ KCNH2 Q12809 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
SCHEMBL26811557 0.93 HTR1A (0.37) DRD2DRD3HTR2AHTR2CHTR1A
SCHEMBL24310061 0.93 HTR1A (0.38) DRD2DRD3HTR2AHTR2CHTR1A
SCHEMBL29566917 0.93 HTR1A (0.38) DRD2DRD3HTR2AHTR2CHTR1A
SCHEMBL26811572 0.89 HTR1A (0.35) DRD2DRD3HTR2AHTR2CHTR1A
SCHEMBL26811579 0.89 HTR1A (0.35) DRD2DRD3HTR2AHTR2CHTR1A
SCHEMBL26811564 0.88 HTR1A (0.35) DRD2DRD3HTR2AHTR2CHTR1A
SCHEMBL26811530 0.88 DRD2 (0.36) DRD2DRD3HTR2AHTR2CHTR1A
SCHEMBL29566556 0.88 HTR1A (0.41) DRD2DRD3HTR2AHTR2CHTR1A
SCHEMBL24309483 0.88 HTR1A (0.41) DRD2DRD3HTR2AHTR2CHTR1A
SCHEMBL26811542 0.87 ALK (0.37) DRD2DRD3HTR2AHTR2CHTR1A

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 2 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

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 ACVR1 1319/4885DRD2 4505/4885DRD3 4541/4885

“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.

Send feedback