SCHEMBL24310014

SCHEMBL24310014

Cc1cccc(C)c1-c1cc(Oc2cccc(N3CCN(C)CC3)c2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ RAD52 P43351 2/20 0.41
▸ MAP4K1 Q92918 2/20 0.39
▸ BRD4 O60885 5/20 0.38
▸ JAK2 O60674 4/20 0.37
▸ JAK3 P52333 3/20 0.37
▸ PTK2 Q05397 3/20 0.37
▸ GUSB P08236 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ TNK2 Q07912 2/20 0.35
▸ MET P08581 1/20 0.35
▸ PHGDH O43175 1/20 0.35

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
SCHEMBL24310343 0.93 MAP4K1 (0.43) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL29567227 0.93 MAP4K1 (0.43) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL26858387 0.92 GUSB (0.42) HTR6GUSB
SCHEMBL24310542 0.92 HTR2C (0.43) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL29567212 0.92 HTR2C (0.43) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL24309946 0.92 MAP4K1 (0.38) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL26810000 0.90 MAP4K1 (0.41) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL24309675 0.90 MAP4K1 (0.37) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL29566772 0.89 DGAT2 (0.38) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL26806460 0.89 DGAT2 (0.38) HTR1AHTR2AHTR2CHTR7DRD3

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 5 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
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO 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 HTR1A 4018/4885HTR2A 3630/4885HTR2C 4185/4885

“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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