SCHEMBL26814643

SCHEMBL26814643

Cc1cccc(C)c1-c1cc(Oc2ccc(NC3CCOC3)nc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.37
▸ IRAK4 Q9NWZ3 4/20 0.36
▸ IRAK1 P51617 2/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ HTR1A P08908 2/20 0.36
▸ HTR7 P34969 2/20 0.36
▸ PDE1B Q01064 3/20 0.35
▸ PDE1A P54750 2/20 0.35
▸ PDE1C Q14123 2/20 0.35
▸ CSF1R P07333 4/20 0.35
▸ PDGFRA P16234 3/20 0.35
▸ SYK P43405 1/20 0.34
▸ KIF18A Q8NI77 1/20 0.34
▸ TTK P33981 1/20 0.34
▸ PDGFRB P09619 1/20 0.33
▸ MAP4K1 Q92918 2/20 0.33

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
SCHEMBL26856905 0.90 MKNK1 (0.37) MKNK1IRAK4IRAK1HTR1AHTR7
SCHEMBL24309394 0.90 CDK2 (0.40) CCNA2CDK2HTR1AHTR7CSF1R
SCHEMBL29566987 0.90 CDK2 (0.40) CCNA2CDK2HTR1AHTR7CSF1R
SCHEMBL26814483 0.90 CDK2 (0.39) CCNA2CDK2HTR1AHTR7CSF1R
SCHEMBL26806489 0.89 CCNA2 (0.42) CCNA2CDK2HTR1AHTR7MAP4K1
SCHEMBL26814726 0.88 CCNA2 (0.40) CCNA2CDK2HTR1AHTR7MAP4K1
SCHEMBL26814821 0.86 CCNA2 (0.36) IRAK1CCNA2CDK2HTR1AHTR7
SCHEMBL26814536 0.85 PIK3CD (0.36) HTR1AHTR7MAP4K1
SCHEMBL26814500 0.83 HTR1A (0.36) HTR1AHTR7MAP4K1
SCHEMBL26814517 0.83 SMN1; SMN2 (0.38) IRAK4HTR1AHTR7MAP4K1

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 1 patent. 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

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 MKNK1 2413/4885IRAK4 1601/4885IRAK1 2877/4885

“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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