SCHEMBL24309837

SCHEMBL24309837

CC(C)CCc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2ccc(C3CCN(C)CC3)cc2)c1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 10/20 0.34
▸ FLT4 P35916 7/20 0.33
▸ KDR P35968 2/20 0.33
▸ HTR1A P08908 4/20 0.32
▸ HTR7 P34969 4/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ JAK2 O60674 2/20 0.31
▸ JAK3 P52333 2/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ MAP4K1 Q92918 1/20 0.31
▸ SLC8A1 P32418 1/20 0.31
▸ BRAF P15056 1/20 0.31

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
SCHEMBL29568105 1.00 PTK2 (0.34) PTK2FLT4KDRHTR1AHTR7
SCHEMBL29566844 0.93 PTK2 (0.34) PTK2FLT4KDRHTR1AHTR7
SCHEMBL24310411 0.93 PTK2 (0.34) PTK2FLT4KDRHTR1AHTR7
SCHEMBL26808560 0.90 PTK2 (0.34) PTK2FLT4KDRHTR1AHTR7
SCHEMBL26808620 0.90 PTK2 (0.35) PTK2FLT4KDRHTR1AHTR7
SCHEMBL29566490 0.89 CTSC (0.34) PTK2HTR1AHTR7HTR6JAK2
SCHEMBL26808497 0.89 CTSC (0.34) PTK2HTR1AHTR7HTR6JAK2
SCHEMBL29566359 0.89 HTR1A (0.39) PTK2KDRHTR1AHTR7DRD2
SCHEMBL24310415 0.89 HTR1A (0.39) PTK2KDRHTR1AHTR7DRD2
SCHEMBL26808552 0.89 PTK2 (0.33) PTK2FLT4KDRHTR1AHTR7

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 PTK2 3114/4885FLT4 4405/4885KDR 4439/4885

“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.

Send feedback