SCHEMBL21047151

SCHEMBL21047151

CC(C)(O)CNc1ncc(I)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 6/20 0.37
FDPS P14324 1/20 0.37
PIK3CD O00329 2/20 0.35
PIK3C3 Q8NEB9 2/20 0.35
MAPK14 Q16539 1/20 0.35
HSD11B1 P28845 3/20 0.33
PIP5K1C O60331 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PIK3R4 Q99570 1/20 0.33
PIP5K1A Q99755 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
IDH1 O75874 1/20 0.32
ABCB11 O95342 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL25950576 0.82 IDH2 (0.39) IDH2FDPSPIK3CDPIK3C3MAPK14
SCHEMBL31126955 0.82 MAPK8 (0.39) IDH2FDPSPIK3CDPIK3C3MAPK14
SCHEMBL17610148 0.78 HCAR3 (0.42)
SCHEMBL31126905 0.75 MAPT (0.44) FDPSNPC1RAB9A
SCHEMBL28941122 0.75 MAPK8 (0.38) IDH2FDPSPIK3CDPIK3C3MAPK14
SCHEMBL2520398 0.74 IL1B (0.35) IDH2MAPK14PIM1CDK9
SCHEMBL11242525 0.72 CCNE1 (0.38) IDH2PIK3CDPIK3C3MAPK14HSD11B1
SCHEMBL21047131 0.71 NPSR1 (0.44) MAPK14HSD11B1CDK2CCNE1
SCHEMBL16266476 0.70 JAK2 (0.39) IDH2PIK3CDPIK3C3MAPK14HSD11B1
SCHEMBL31257153 0.69 PIK3CD (0.34) IDH2PIK3CDPIK3C3MAPK14HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3498693-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-10-30 EP disclosed
CN-109790122-B Heterocyclic compounds 武田药品工业株式会社 2022-06-24 CN disclosed
US-10696651-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-30 US disclosed
EP-3498693-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-06-19 EP disclosed
US-20190169166-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-06 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-10696651-B2 Heterocyclic compound EIF2AK4, GCN1, GTF2I IDH2 382/4885FDPS 959/4885PIK3CD 3582/4885
US-20190169166-A1 HETEROCYCLIC COMPOUND EIF2AK4, GCN1, GTF2I IDH2 382/4885FDPS 959/4885PIK3CD 3582/4885

“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.