SCHEMBL24310104

SCHEMBL24310104

CCc1c(Oc2ccc(N3CCNCC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)nc1-c1cc(C)ccc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD2 Q9HC29 11/20 0.36
▸ RIPK2 O43353 10/20 0.36
▸ ACVR1 Q04771 10/20 0.36
▸ GUSB P08236 2/20 0.34
▸ EGFR P00533 1/20 0.33
▸ HTR6 P50406 2/20 0.33
▸ CCNB2 O95067 1/20 0.32
▸ CCNE2 O96020 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CCND2 P30279 1/20 0.32
▸ CCND3 P30281 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ CCNB3 Q8WWL7 1/20 0.32
▸ LCK P06239 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
SCHEMBL29566496 1.00 NOD2 (0.36) NOD2RIPK2ACVR1GUSBEGFR
SCHEMBL29567089 0.91 HTR6 (0.37) NOD2RIPK2ACVR1GUSBEGFR
SCHEMBL24310067 0.91 HTR6 (0.37) NOD2RIPK2ACVR1GUSBEGFR
SCHEMBL29566401 0.90 NOD2 (0.36) NOD2RIPK2ACVR1GUSBEGFR
SCHEMBL24310021 0.90 NOD2 (0.36) NOD2RIPK2ACVR1GUSBEGFR
SCHEMBL26811442 0.89 NOD2 (0.40) NOD2RIPK2ACVR1GUSBHTR6
SCHEMBL24310024 0.88 LCK (0.36) NOD2RIPK2ACVR1GUSBEGFR
SCHEMBL29567116 0.88 LCK (0.36) NOD2RIPK2ACVR1GUSBEGFR
SCHEMBL24309496 0.88 NOD2 (0.36) NOD2RIPK2ACVR1EGFRHTR6
SCHEMBL29567256 0.88 NOD2 (0.36) NOD2RIPK2ACVR1EGFRHTR6

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

“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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