SCHEMBL26811519

SCHEMBL26811519

CCc1c(Oc2ccc(C(=O)NC)nc2)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1ccccc1CC(C)C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.34
▸ HTR1A P08908 4/20 0.32
▸ HTR7 P34969 4/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ BRAF P15056 1/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ FGFR3 P22607 1/20 0.31
▸ AURKA O14965 1/20 0.30
▸ AURKB Q96GD4 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ HTR6 P50406 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
SCHEMBL26811513 0.91 AURKA (0.36) HTR1AHTR7FGFR1FGFR3AURKA
SCHEMBL26811495 0.89 PARP1 (0.34) PARP1HTR1AHTR7HRH3FGFR1
SCHEMBL26811516 0.88 FGFR1 (0.36) HTR1AHTR7FGFR1FGFR3
SCHEMBL24310605 0.82 NMT1 (0.35) HTR1AHTR7AURKAAURKBDRD2
SCHEMBL29566526 0.82 NMT1 (0.35) HTR1AHTR7AURKAAURKBDRD2
SCHEMBL26811433 0.82 HSD11B1 (0.35) HTR1AHTR7
SCHEMBL24310022 0.81 EGFR (0.35) HTR1AHTR7DRD2HTR6
SCHEMBL29567020 0.81 HTR1A (0.34) HTR1AHTR7DRD2HTR6
SCHEMBL24310616 0.81 HTR1A (0.34) HTR1AHTR7DRD2HTR6
SCHEMBL24309774 0.81 HTR1A (0.34) HTR1AHTR7HRH3FGFR1FGFR3

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 PARP1 4715/4885HTR1A 4018/4885HTR7 3833/4885

“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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