SCHEMBL29567245

SCHEMBL29567245

Cc1cccc(C)c1-c1cc(Oc2ccc(N3CCN(C)CC3)c(C(F)(F)F)c2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.42
▸ KDR P35968 1/20 0.41
▸ CCNA2 P20248 8/20 0.40
▸ CDK2 P24941 8/20 0.40
▸ CCNA1 P78396 8/20 0.40
▸ CDK4 P11802 5/20 0.38
▸ CCND3 P30281 5/20 0.38
▸ GSK3B P49841 5/20 0.38
▸ PIM1 P11309 4/20 0.38
▸ MTOR P42345 3/20 0.37
▸ AURKA O14965 1/20 0.37
▸ CCNK O75909 1/20 0.37
▸ SLC2A1 P11166 1/20 0.37
▸ CDK12 Q9NYV4 1/20 0.37
▸ PLA2G7 Q13093 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
SCHEMBL26808191 1.00 BRD4 (0.42) BRD4KDRCCNA2CDK2CCNA1
SCHEMBL24309786 0.89 DGAT2 (0.40) BRD4SLC2A1
SCHEMBL26809807 0.88 HTR6 (0.35) BRD4
SCHEMBL24309701 0.87 HTR6 (0.36) BRD4SLC2A1
SCHEMBL29566991 0.87 HTR1D (0.37) BRD4
SCHEMBL26809817 0.87 HTR1D (0.37) BRD4
SCHEMBL24310014 0.86 HTR1A (0.42) BRD4
SCHEMBL29567227 0.86 MAP4K1 (0.43) BRD4
SCHEMBL24310343 0.86 MAP4K1 (0.43) BRD4
SCHEMBL29566394 0.86 BRD4 (0.36) BRD4CCNA2CDK2CCNA1

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
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

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 BRD4 1716/4885KDR 4439/4885CCNA2 4686/4885

“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