SCHEMBL24309512

SCHEMBL24309512

Cc1cc(C)c(-c2cc(Oc3ccc(N4CCNCC4)cc3)nc(NS(=O)(=O)c3cnn(C)c3)n2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 1/20 0.36
▸ HTR6 P50406 3/20 0.36
▸ GUSB P08236 4/20 0.36
▸ RIPK2 O43353 5/20 0.35
▸ ACVR1 Q04771 5/20 0.35
▸ NOD2 Q9HC29 5/20 0.35
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CCND2 P30279 1/20 0.34
▸ CCND3 P30281 1/20 0.34
▸ LTA4H P09960 3/20 0.33
▸ JAK2 O60674 2/20 0.33
▸ BRD4 O60885 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
SCHEMBL26807476 0.94 ALOX12 (0.36) HTR6RIPK2ACVR1NOD2CDK4
SCHEMBL26807471 0.94 ACVR1 (0.40) FLT3HTR6GUSBRIPK2ACVR1
SCHEMBL24310583 0.93 RIPK2 (0.38) FLT3HTR6GUSBRIPK2ACVR1
SCHEMBL26809994 0.91 GUSB (0.36) FLT3HTR6GUSBRIPK2ACVR1
SCHEMBL26807728 0.90 FLT3 (0.37) FLT3HTR6GUSBRIPK2ACVR1
SCHEMBL26807316 0.88 RIPK2 (0.39) FLT3HTR6GUSBRIPK2ACVR1
SCHEMBL29566726 0.88 RIPK2 (0.39) FLT3HTR6GUSBRIPK2ACVR1
SCHEMBL26858387 0.87 GUSB (0.42) HTR6GUSB
SCHEMBL26807460 0.87 HTR6 (0.43) FLT3HTR6GUSBRIPK2ACVR1
SCHEMBL29566834 0.86 HTR6 (0.38) FLT3HTR6GUSBRIPK2ACVR1

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 5 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
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 FLT3 4133/4885HTR6 2653/4885GUSB 2723/4885

“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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