SCHEMBL23544892

SCHEMBL23544892

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 5/20 0.54
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
ALDH1A1 P00352 5/20 0.53
MAPK1 P28482 5/20 0.53
TP53 P04637 2/20 0.53
THRB P10828 1/20 0.53
LMNA P02545 5/20 0.52
HTT P42858 3/20 0.52
KDM4E B2RXH2 3/20 0.52
ALOX15 P16050 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
ALOX12 P18054 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPSR1 Q6W5P4 2/20 0.48
CASP6 P55212 1/20 0.47

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
SCHEMBL23544891 0.86 PANK3 (0.56) PANK3MAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL18701796 0.84 LMNA (0.63) MAPTSMN1; SMN2ALDH1A1MAPK1LMNA
SCHEMBL188121 0.84 GFER (0.68) MAPTSMN1; SMN2ALDH1A1MAPK1TP53
SCHEMBL12788651 0.82 AKR1C3 (0.59) MAPTSMN1; SMN2ALDH1A1MAPK1LMNA
SCHEMBL13887688 0.82 MAPT (0.58) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL10169298 0.82 MAPT (0.71) PANK3MAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL10288811 0.82 PANK3 (0.58) PANK3MAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL18701878 0.81 CA12 (0.61) MAPTSMN1; SMN2ALDH1A1MAPK1TP53
SCHEMBL23544884 0.81 PANK3 (0.57) PANK3MAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL22854086 0.81 PANK3 (0.57) PANK3MAPTSMN1; SMN2ALDH1A1MAPK1

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 3 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
US-20210188844-A1 FUSED PYRIMIDINE PYRIDINONE COMPOUNDS AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-06-24 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 (2 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-20210188844-A1 FUSED PYRIMIDINE PYRIDINONE COMPOUNDS AS JAK INHIBITORS JAK3, JAK1, JAK2 PANK3 105/4885MAPT 3409/4885SMN1; SMN2 3707/4885
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors JAK3, JAK1, JAK2 PANK3 105/4885MAPT 3409/4885SMN1; SMN2 3707/4885

“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.