SCHEMBL25840730

SCHEMBL25840730

Cc1cccc(CN2CCN(S(=O)(=O)C3COC3)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 4/20 0.50
HTT P42858 2/20 0.50
MAPT P10636 1/20 0.48
FAAH O00519 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.45
LMNA P02545 1/20 0.44
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43

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
SCHEMBL23544829 0.84 FAAH (0.43) ALDH1A1KDM4EHTTFAAHMEN1
SCHEMBL15829985 0.81 ALDH1A1 (0.57) ALDH1A1KDM4EHTTMAPTFAAH
SCHEMBL22516951 0.76 ACHE (0.53) ALDH1A1KDM4EHTTMAPTMEN1
SCHEMBL178443 0.74 NCF1 (0.66) ALDH1A1KDM4EHTTMAPTLMNA
SCHEMBL12447 0.73 BACE1 (0.59) ALDH1A1KDM4EHTTMAPTMEN1
SCHEMBL27895731 0.73 ACHE (0.59) ALDH1A1KDM4EHTTMAPTMEN1
SCHEMBL10076573 0.73 MC4R (0.65) ALDH1A1KDM4EHTTMAPTFAAH
SCHEMBL15829984 0.73 ALDH1A1 (0.62) ALDH1A1KDM4EHTTMAPTFAAH
SCHEMBL31546411 0.72 HRH3 (0.69) ALDH1A1KDM4EHTTMAPT
SCHEMBL12981 0.72 HRH3 (0.69) ALDH1A1KDM4EHTTMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 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-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors JAK3, JAK1, JAK2 ALDH1A1 2446/4885KDM4E 1182/4885HTT 4020/4885

“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.