SCHEMBL25839423

SCHEMBL25839423

CC(C)c1ccc(N2CCN(C(=O)C(C)(C)O)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 7/20 0.54
SMN1; SMN2 Q16637 5/20 0.53
MAPT P10636 4/20 0.53
MAPK1 P28482 4/20 0.53
ALDH1A1 P00352 4/20 0.53
TP53 P04637 2/20 0.53
THRB P10828 1/20 0.53
LMNA P02545 4/20 0.52
ALOX15 P16050 2/20 0.52
HTT P42858 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 2/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
ALOX12 P18054 1/20 0.52
CASP6 P55212 1/20 0.47
GFER P55789 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL23544892 0.91 PANK3 (0.54) PANK3SMN1; SMN2MAPTMAPK1ALDH1A1
SCHEMBL23544891 0.86 PANK3 (0.56) PANK3SMN1; SMN2MAPTMAPK1ALDH1A1
SCHEMBL8510262 0.86 GFER (0.66) SMN1; SMN2MAPTMAPK1ALDH1A1TP53
SCHEMBL23544885 0.84 AKR1C3 (0.58) SMN1; SMN2MAPTMAPK1ALDH1A1LMNA
SCHEMBL10169298 0.82 MAPT (0.71) PANK3SMN1; SMN2MAPTMAPK1ALDH1A1
SCHEMBL10288811 0.82 PANK3 (0.58) PANK3SMN1; SMN2MAPTMAPK1ALDH1A1
SCHEMBL23544884 0.81 PANK3 (0.57) PANK3SMN1; SMN2MAPTMAPK1ALDH1A1
SCHEMBL22854086 0.81 PANK3 (0.57) PANK3SMN1; SMN2MAPTMAPK1ALDH1A1
SCHEMBL10223333 0.81 MAPT (0.64) PANK3SMN1; SMN2MAPTMAPK1ALDH1A1
SCHEMBL25839467 0.81 PANK3 (0.51) PANK3SMN1; SMN2MAPTMAPK1ALDH1A1

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 PANK3 105/4885SMN1; SMN2 3707/4885MAPT 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.