SCHEMBL24310669

SCHEMBL24310669

Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2ccc(N3CCN(C)CC3)c(Cl)c2)c1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.36
▸ HRH4 Q9H3N8 1/20 0.35
▸ BRD4 O60885 4/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ AXL P30530 1/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ CECR2 Q9BXF3 1/20 0.33
▸ BRD9 Q9H8M2 1/20 0.33
▸ DGAT2 Q96PD7 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TNK2 Q07912 1/20 0.32

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
SCHEMBL29566602 1.00 EGFR (0.36) EGFRHRH4BRD4NPC1AXL
SCHEMBL29567388 0.93 DRD2 (0.37) EGFRHRH4BRD4ALDH1A1CREBBP
SCHEMBL24310421 0.93 DRD2 (0.37) EGFRHRH4BRD4ALDH1A1CREBBP
SCHEMBL29567333 0.89 RAD52 (0.39) BRD4RAD52ALDH1A1HTR2CHTR6
SCHEMBL24309887 0.89 RAD52 (0.39) BRD4RAD52ALDH1A1HTR2CHTR6
SCHEMBL26808700 0.85 HTR1A (0.38) EGFRALDH1A1HTR6GAAHPGD
SCHEMBL26808695 0.84 HTR1A (0.39) HTR6
SCHEMBL26808698 0.83 HTR1A (0.36) BRD4HTR6
SCHEMBL24309717 0.83 RAD52 (0.39) BRD4RAD52ALDH1A1HTR2CHTR6
SCHEMBL29567239 0.83 RAD52 (0.39) BRD4RAD52ALDH1A1HTR2CHTR6

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 EGFR 818/4885HRH4 2101/4885BRD4 1716/4885

“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