SCHEMBL26808563

SCHEMBL26808563

COc1c(C)cccc1-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 17)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.34
▸ PTK2 Q05397 10/20 0.34
▸ SCN9A Q15858 3/20 0.33
▸ CSF1R P07333 1/20 0.32
▸ SIK1 P57059 1/20 0.32
▸ SIK2 Q9H0K1 1/20 0.32
▸ SIK3 Q9Y2K2 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ ACVR1 Q04771 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ BRAF P15056 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ FLT4 P35916 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ MAP4K1 Q92918 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
SCHEMBL26808609 0.93 PTK2 (0.36) PTK2SCN9AHTR1AHTR7TGFBR1
SCHEMBL26808553 0.93 PTK2 (0.38) PTK2SCN9ACSF1RSIK1SIK2
SCHEMBL26808599 0.92 BRD4 (0.35) BRD4PTK2SCN9AHTR1AHTR7
SCHEMBL24309772 0.92 HTR1A (0.35) BRD4PTK2SCN9AHTR1AHTR7
SCHEMBL26808522 0.90 BRD4 (0.36) BRD4PTK2SCN9AHTR1AHTR7
SCHEMBL29567192 0.90 BRD4 (0.36) BRD4PTK2SCN9AHTR1AHTR7
SCHEMBL26808566 0.89 SCN9A (0.36) BRD4PTK2SCN9AHTR1AHTR7
SCHEMBL26808579 0.88 WEE1 (0.34) BRD4PTK2SCN9AHTR1AHTR7
SCHEMBL26808596 0.88 HTR1A (0.36) PTK2SCN9AHTR1AHTR7BRAF
SCHEMBL29567305 0.87 BRD4 (0.35) BRD4PTK2SCN9AHTR1AHTR7

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 BRD4 1716/4885PTK2 3114/4885SCN9A 385/4885

“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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