SCHEMBL26806489

SCHEMBL26806489

Cc1cccc(C)c1-c1cc(Oc2ccc(NC3CCN(C)CC3)nc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 5/20 0.42
▸ CDK2 P24941 5/20 0.42
▸ HDAC3 O15379 2/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC7 Q8WUI4 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC10 Q969S8 2/20 0.38
▸ HDAC11 Q96DB2 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC9 Q9UKV0 2/20 0.38
▸ HDAC5 Q9UQL6 2/20 0.38
▸ CCR6 P51684 1/20 0.37
▸ HTR1A P08908 5/20 0.37
▸ HTR7 P34969 5/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ MAP4K1 Q92918 5/20 0.35
▸ CCNK O75909 2/20 0.35
▸ CDK12 Q9NYV4 2/20 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
SCHEMBL26814726 0.95 CCNA2 (0.40) CCNA2CDK2HDAC3HDAC4HDAC1
SCHEMBL24309394 0.94 CDK2 (0.40) CCNA2CDK2CCR6HTR1AHTR7
SCHEMBL29566987 0.94 CDK2 (0.40) CCNA2CDK2CCR6HTR1AHTR7
SCHEMBL26814483 0.93 CDK2 (0.39) CCNA2CDK2CCR6HTR1AHTR7
SCHEMBL26856630 0.90 BRD4 (0.38) CCNA2CDK2HTR1AHTR7BRD4
SCHEMBL26814821 0.90 CCNA2 (0.36) CCNA2CDK2HTR1AHTR7MAP4K1
SCHEMBL26814643 0.89 MKNK1 (0.37) CCNA2CDK2HTR1AHTR7MAP4K1
SCHEMBL26806490 0.88 HTR1A (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL26814536 0.87 PIK3CD (0.36) HTR1AHTR7BRD4MAP4K1
SCHEMBL26856880 0.85 HTR1A (0.36) HTR1AHTR7BRD4CCNKCDK12

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 CCNA2 4686/4885CDK2 4552/4885HDAC3 1474/4885

“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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