SCHEMBL30445736

SCHEMBL30445736

C[C@@H](O)c1nc2cnc3ccsc3c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
PIK3CD O00329 1/20 0.36
JAK1 P23458 1/20 0.36
TYRO3 Q06418 1/20 0.36
ADORA2A P29274 7/20 0.33
ADORA1 P30542 7/20 0.33
ADORA3 P0DMS8 2/20 0.33
ADORA2B P29275 2/20 0.33
PDPK1 O15530 1/20 0.33
PARP1 P09874 1/20 0.33
AXL P30530 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL14643309 0.74 MLKL (0.41) CYP1A2ALDH1A1ALOX15MEN1HTT
SCHEMBL14643308 0.71 CYP1A2 (0.39) CYP1A2ALDH1A1ALOX15MEN1HTT
SCHEMBL31295918 0.69 PARP1 (0.41) PARP1
SCHEMBL25294421 0.69 PARP1 (0.41) PARP1
SCHEMBL12424042 0.69 JAK1 (0.46) CYP1A2JAK1AXL
SCHEMBL20283374 0.69 JAK1 (0.46) CYP1A2JAK1AXL
SCHEMBL10769866 0.68 RAB9A (0.47) ALDH1A1MEN1KMT2AJAK1ADORA2B
SCHEMBL3552668 0.65 PDPK1 (0.58) MEN1KMT2AADORA2AADORA1PDPK1
SCHEMBL6515025 0.63 CYP1A2 (0.53) CYP1A2ALDH1A1ALOX15MEN1HTT
SCHEMBL15668178 0.63 PDPK1 (0.39) MEN1KMT2AADORA2AADORA1PDPK1

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-12150943-B2 JAK1 pathway inhibitors for the treatment of gastrointestinal disease INCYTE CORPORATION (US) 2024-11-26 US disclosed
US-20230172939-A1 JAK1 PATHWAY INHIBITORS FOR THE TREATMENT OF GASTROINTESTINAL DISEASE INCYTE CORPORATION 2023-06-08 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-20230172939-A1 JAK1 PATHWAY INHIBITORS FOR THE TREATMENT OF GASTROINTESTINAL DISEASE JAK1, JAK3, JAK2 CYP1A2 2630/4885ALDH1A1 1842/4885ALOX15 1098/4885
US-12150943-B2 JAK1 pathway inhibitors for the treatment of gastrointestinal disease JAK1, JAK3, JAK2 CYP1A2 2630/4885ALDH1A1 1842/4885ALOX15 1098/4885

“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.