SCHEMBL24310583

SCHEMBL24310583

Cc1cccc(C)c1-c1cc(Oc2ccc(N3CCNCC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 3/20 0.38
▸ ACVR1 Q04771 3/20 0.38
▸ NOD2 Q9HC29 3/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ HTR6 P50406 2/20 0.38
▸ GUSB P08236 6/20 0.36
▸ LCK P06239 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ TNK2 Q07912 1/20 0.36
▸ MAPK10 P53779 2/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ LTA4H P09960 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ MAP4K1 Q92918 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CCND2 P30279 1/20 0.34
▸ CCND3 P30281 1/20 0.34

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
SCHEMBL26809994 0.97 GUSB (0.36) RIPK2ACVR1NOD2FLT3HTR6
SCHEMBL24309512 0.93 FLT3 (0.36) RIPK2ACVR1NOD2FLT3HTR6
SCHEMBL26858387 0.93 GUSB (0.42) HTR6GUSB
SCHEMBL26807471 0.92 ACVR1 (0.40) RIPK2ACVR1NOD2FLT3HTR6
SCHEMBL24310087 0.92 ALDH1A1 (0.37) MAP4K1BRD4
SCHEMBL29566685 0.92 ALDH1A1 (0.37) MAP4K1BRD4
SCHEMBL26810055 0.92 ALDH1A1 (0.37) MAP4K1BRD4
SCHEMBL24310343 0.92 MAP4K1 (0.43) FLT3HTR6JAK3MAP4K1BRD4
SCHEMBL29567227 0.92 MAP4K1 (0.43) FLT3HTR6JAK3MAP4K1BRD4
SCHEMBL26807466 0.91 FLT3 (0.38) RIPK2ACVR1NOD2FLT3HTR6

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 6 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
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
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 RIPK2 3698/4885ACVR1 1319/4885NOD2 724/4885

“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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