SCHEMBL26811472

SCHEMBL26811472

CCc1c(Oc2ccc(N3CCNCC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1c(C)cc(C)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOD2 Q9HC29 10/20 0.36
▸ ACVR1 Q04771 11/20 0.36
▸ RIPK2 O43353 8/20 0.36
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ACVR1B P36896 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ IGF1R P08069 2/20 0.33
▸ QPCT Q16769 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ HTR6 P50406 1/20 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
SCHEMBL24310021 0.94 NOD2 (0.36) NOD2ACVR1RIPK2EGFRHTR6
SCHEMBL29566401 0.94 NOD2 (0.36) NOD2ACVR1RIPK2EGFRHTR6
SCHEMBL26811465 0.92 NOD2 (0.41) NOD2ACVR1RIPK2TGFBR1HTR6
SCHEMBL29567256 0.89 NOD2 (0.36) NOD2ACVR1RIPK2CDK4CCND1
SCHEMBL24309496 0.89 NOD2 (0.36) NOD2ACVR1RIPK2CDK4CCND1
SCHEMBL29567543 0.88 LCK (0.37) NOD2ACVR1RIPK2ALOX12EGFR
SCHEMBL24310035 0.88 LCK (0.37) NOD2ACVR1RIPK2ALOX12EGFR
SCHEMBL24310104 0.87 NOD2 (0.36) NOD2ACVR1RIPK2CDK4CCND1
SCHEMBL29566496 0.87 NOD2 (0.36) NOD2ACVR1RIPK2CDK4CCND1
SCHEMBL26811442 0.86 NOD2 (0.40) NOD2ACVR1RIPK2TGFBR1HTR6

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 NOD2 724/4885ACVR1 1319/4885RIPK2 3698/4885

“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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