SCHEMBL25839428

SCHEMBL25839428

CC(=O)N1CCN(c2ccc(C(C)C)cc2F)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 5/20 0.49
MAPT P10636 5/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
HPGD P15428 2/20 0.49
GPR174 Q9BXC1 2/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CASP6 P55212 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
SCHEMBL23544869 0.85 CHRM1 (0.55) KDM4EALDH1A1MAPTL3MBTL1HPGD
SCHEMBL12278887 0.83 ITGB2 (0.45) KDM4EALDH1A1MAPTL3MBTL1LMNA
SCHEMBL18711276 0.83 TP53 (0.56) ALDH1A1MAPTL3MBTL1HPGDGPR174
SCHEMBL17660573 0.83 LMNA (0.49) KDM4EALDH1A1MAPTL3MBTL1LMNA
SCHEMBL13419194 0.82 MAPT (0.54) ALDH1A1MAPTL3MBTL1HPGDGPR174
SCHEMBL14924070 0.81 MAPT (0.46) ALDH1A1MAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL31485198 0.81 ALDH1A1 (0.64) KDM4EALDH1A1MAPTL3MBTL1HPGD
SCHEMBL3099621 0.81 GFER (0.58) ALDH1A1MAPTL3MBTL1HPGDGPR174
SCHEMBL13607124 0.80 KDM4E (0.56) KDM4EALDH1A1MAPTL3MBTL1LMNA
SCHEMBL12160700 0.79 ALDH1A1 (0.53) KDM4EALDH1A1MAPTHPGDHTT

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-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 US disclosed
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 KDM4E 1182/4885ALDH1A1 2446/4885MAPT 3409/4885

“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.