SCHEMBL26807599

SCHEMBL26807599

CC1CCCC(C)C1(O)c1cc(Oc2ccc(N3CCNCC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 1/20 0.34
▸ HTR6 P50406 1/20 0.33
▸ CDK4 P11802 6/20 0.33
▸ CCND1 P24385 4/20 0.33
▸ CDK6 Q00534 3/20 0.33
▸ RIPK2 O43353 1/20 0.33
▸ ACVR1 Q04771 1/20 0.33
▸ NOD2 Q9HC29 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ LTA4H P09960 1/20 0.32
▸ MAPK10 P53779 2/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ GUSB P08236 5/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ NUAK1 O60285 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ FGFR2 P21802 1/20 0.32
▸ FGFR4 P22455 1/20 0.32
▸ FGFR3 P22607 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
SCHEMBL26807601 0.86 HTR1A (0.40) HTR6JAK1FGFR1
SCHEMBL26810498 0.84 HTR6 (0.35) FLT3HTR6RIPK2ACVR1NOD2
SCHEMBL26807593 0.84 HRH3 (0.37) JAK1FGFR1
SCHEMBL24309695 0.83 CDK4 (0.38) FLT3HTR6CDK4CCND1CDK6
SCHEMBL29566941 0.83 CDK4 (0.38) FLT3HTR6CDK4CCND1CDK6
SCHEMBL26807780 0.82 LTA4H (0.47) FLT3HTR6CDK6RIPK2ACVR1
SCHEMBL29567157 0.82 LTA4H (0.41) FLT3HTR6RIPK2ACVR1NOD2
SCHEMBL26807778 0.82 HTR3E (0.46) HTR6RIPK2ACVR1NOD2GUSB
SCHEMBL24309513 0.82 LTA4H (0.41) FLT3HTR6RIPK2ACVR1NOD2
SCHEMBL26807760 0.81 LTA4H (0.48) HTR6RIPK2ACVR1NOD2LTA4H

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 FLT3 4133/4885HTR6 2653/4885CDK4 4358/4885

“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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