SCHEMBL25839430

SCHEMBL25839430

CC(=O)N1[C@H](C)CN(c2ccc(C(C)C)cc2)C[C@@H]1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PANK3 Q9H999 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
ACACB O00763 9/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL20034286 0.87 LMNA (0.37) L3MBTL1MAPTMAPK1SMN1; SMN2LMNA
SCHEMBL19012461 0.84 ACACB (0.41) L3MBTL1MAPTMAPK1SMN1; SMN2LMNA
SCHEMBL19701940 0.82 PIK3CD (0.38) PANK3WNT3A
SCHEMBL19012720 0.82 L3MBTL1 (0.39) L3MBTL1MAPTMAPK1SMN1; SMN2LMNA
SCHEMBL19701956 0.82 NOTUM (0.55) MAPTSMN1; SMN2KDM4EALOX15ALOX12
SCHEMBL19012400 0.81 SMO (0.44) MAPTSMN1; SMN2LMNAKDM4EHTT
SCHEMBL19012457 0.81 GAA (0.44) MAPTLMNAKDM4EGAAALOX15
SCHEMBL23544890 0.81 MAPT (0.46) L3MBTL1MAPTMAPK1SMN1; SMN2LMNA
SCHEMBL25839431 0.81 MAPT (0.46) L3MBTL1MAPTMAPK1SMN1; SMN2LMNA
SCHEMBL18436935 0.80 SMN1; SMN2 (0.47) MAPK1SMN1; SMN2ALDH1A1

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 L3MBTL1 4396/4885MAPT 3409/4885MAPK1 126/4885

“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.