SCHEMBL25840577

SCHEMBL25840577

COCCS(=O)(=O)N1CCN(c2ccc(C)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
SMO Q99835 3/20 0.53
KCNH2 Q12809 1/20 0.48
HSD11B1 P28845 1/20 0.47
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.45
TP53 P04637 2/20 0.45
THRB P10828 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL25839464 0.85 KCNH2 (0.48) MEN1KMT2ASMOKCNH2MAPT
SCHEMBL12082286 0.82 KMT2A (0.67) MEN1KMT2AHSD11B1MAPTMAPK1
SCHEMBL975607 0.75 SMO (0.43) MEN1KMT2ASMOKCNH2MAPT
SCHEMBL23544827 0.75 ALDH1A1 (0.48) SMOKCNH2MAPTTP53THRB
SCHEMBL23446066 0.75 JAK3 (0.45) MEN1KMT2ASMOTP53THRB
SCHEMBL3664917 0.74 THRB (0.45) MEN1KMT2AHSD11B1MAPTTP53
SCHEMBL13591219 0.74 MEN1 (0.69) MEN1KMT2AHSD11B1MAPTMAPK1
SCHEMBL82680 0.74 MEN1 (0.69) MEN1KMT2AHSD11B1MAPTTHRB
SCHEMBL8350747 0.73 MAPT (0.58) MAPTPOLB
SCHEMBL17039352 0.72 L3MBTL1 (0.45) SMOMAPTPOLB

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 MEN1 4006/4885KMT2A 2231/4885SMO 275/4885

“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.