SCHEMBL26808620

SCHEMBL26808620

CN1CCC(c2ccc(Oc3nc(NS(=O)(=O)c4cnn(C)c4)nc(-c4ccccc4CC4CC4)c3C(F)(F)F)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 11/20 0.35
▸ PIK3CG P48736 3/20 0.35
▸ FLT4 P35916 6/20 0.34
▸ KDR P35968 1/20 0.34
▸ MAP4K1 Q92918 2/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ PCK1 P35558 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ JAK2 O60674 2/20 0.32
▸ JAK3 P52333 2/20 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
SCHEMBL26808560 0.92 PTK2 (0.34) PTK2FLT4KDRMAP4K1HTR1A
SCHEMBL29566844 0.91 PTK2 (0.34) PTK2FLT4KDRMAP4K1HTR1A
SCHEMBL24310411 0.91 PTK2 (0.34) PTK2FLT4KDRMAP4K1HTR1A
SCHEMBL26808552 0.90 PTK2 (0.33) PTK2FLT4KDRMAP4K1HTR1A
SCHEMBL26808596 0.90 HTR1A (0.36) PTK2FLT4KDRHTR1AHTR7
SCHEMBL24309772 0.90 HTR1A (0.35) PTK2FLT4KDRHTR1AHTR7
SCHEMBL24309837 0.90 PTK2 (0.34) PTK2FLT4KDRMAP4K1HTR1A
SCHEMBL29568105 0.90 PTK2 (0.34) PTK2FLT4KDRMAP4K1HTR1A
SCHEMBL26808605 0.89 HTR1A (0.34) PTK2KDRHTR1AHTR7SCN9A
SCHEMBL26808566 0.89 SCN9A (0.36) PTK2KDRMAP4K1HTR1AHTR7

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 PTK2 3114/4885PIK3CG 533/4885FLT4 4405/4885

“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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