SCHEMBL21811035

SCHEMBL21811035

Nc1cc(C(F)(F)F)cnc1NC1CCN(C(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.43
PIK3CA P42336 2/20 0.43
PAK1 Q13153 3/20 0.43
MDM2 Q00987 2/20 0.43
HSD11B1 P28845 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CCNK O75909 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
BTK Q06187 3/20 0.39
TEAD1 P28347 2/20 0.39
SCN9A Q15858 2/20 0.38
EPHX2 P34913 1/20 0.38
HTR2B P41595 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PRKDC P78527 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL21811034 1.00 PIK3CD (0.43) PIK3CDPIK3CAPAK1MDM2HSD11B1
SCHEMBL31171017 0.85 PIK3CD (0.51) PIK3CDPIK3CAHSD11B1CYP3A4CYP2D6
SCHEMBL29124439 0.85 PIK3CD (0.51) PIK3CDPIK3CAHSD11B1CYP3A4CYP2D6
SCHEMBL7178421 0.85 PIK3CD (0.51) PIK3CDPIK3CAHSD11B1CYP3A4CYP2D6
SCHEMBL7178416 0.85 PIK3CD (0.51) PIK3CDPIK3CAHSD11B1CYP3A4CYP2D6
SCHEMBL23236169 0.83 HSD11B1 (0.49) PIK3CDPIK3CAPAK1HSD11B1CYP3A4
SCHEMBL23236166 0.83 HSD11B1 (0.49) PIK3CDPIK3CAPAK1HSD11B1CYP3A4
SCHEMBL21811243 0.82 PAK1 (0.41) PIK3CDPIK3CAPAK1CCNKCDK12
SCHEMBL21811241 0.82 PAK1 (0.41) PIK3CDPIK3CAPAK1CCNKCDK12
SCHEMBL27233778 0.81 CDK12 (0.56) HSD11B1CYP3A4CYP2D6CYP2C9CCNK

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-20210206765-A1 IMIDAZOPYRIDINONE COMPOUND KISSEI PHARMACEUTICAL CO., LTD. (JP) 2021-07-08 US disclosed
EP-3808747-A1 IMIDAZOPYRIDINONE COMPOUND KISSEI PHARMACEUTICAL CO., LTD. (JP) 2021-04-21 EP disclosed
WO-2020054788-A1 IMIDAZOPYRIDINONE COMPOUND キッセイ薬品工業株式会社 2020-03-19 WO 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-20210206765-A1 IMIDAZOPYRIDINONE COMPOUND DHPS, EGLN3, P4HA1 PIK3CD 3067/4885PIK3CA 2929/4885PAK1 805/4885

“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.