SCHEMBL25463129

SCHEMBL25463129

Cc1ccc(-c2nc(-c3cnn(C)c3)cc3c(=O)n(C(C)CO)cnc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.42
MTOR P42345 2/20 0.42
JAK2 O60674 3/20 0.41
JAK1 P23458 3/20 0.41
TYK2 P29597 3/20 0.41
JAK3 P52333 3/20 0.41
MAPK1 P28482 3/20 0.38
MET P08581 1/20 0.35
PIM1 P11309 2/20 0.35
LRRK2 Q5S007 1/20 0.35
BRD4 O60885 1/20 0.35
FGFR1 P11362 3/20 0.34
FGFR2 P21802 3/20 0.34
FGFR3 P22607 3/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
TGFBR1 P36897 1/20 0.34
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL23925567 0.92 JAK2 (0.45) PIK3CAMTORJAK2JAK1TYK2
SCHEMBL23950500 0.89 PIK3CA (0.40) PIK3CAMTORJAK2JAK1TYK2
SCHEMBL23390451 0.88 AHR (0.42) PIK3CAMTORJAK2JAK1TYK2
SCHEMBL23390448 0.88 AHR (0.42) PIK3CAMTORJAK2JAK1TYK2
SCHEMBL23390120 0.88 JAK2 (0.43) PIK3CAMTORJAK2JAK1TYK2
SCHEMBL26275647 0.88 JAK2 (0.41) PIK3CAMTORJAK2JAK1TYK2
SCHEMBL23390122 0.88 JAK2 (0.43) PIK3CAMTORJAK2JAK1TYK2
SCHEMBL23390118 0.86 JAK2 (0.39) PIK3CAMTORJAK2JAK1TYK2
SCHEMBL23390121 0.86 JAK2 (0.39) PIK3CAMTORJAK2JAK1TYK2
SCHEMBL23950267 0.86 TYK2 (0.39) PIK3CAMTORJAK2JAK1TYK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230147257-A1 PYRIDOPYRIMIDINONE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS DONG-A ST CO., LTD. (KR) 2023-05-11 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-20230147257-A1 PYRIDOPYRIMIDINONE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS AHR, ARNT, AIPL1 PIK3CA 1832/4885MTOR 2868/4885JAK2 919/4885

“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.