SCHEMBL21603403

SCHEMBL21603403

Cc1ccnc(C)c1Nc1nccc2[nH]ccc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 10/20 0.39
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
ROCK1 Q13464 1/20 0.35
TNNI3K Q59H18 1/20 0.35
PIK3CD O00329 2/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CB P42338 2/20 0.35
MTOR P42345 2/20 0.35
PIK3CG P48736 2/20 0.35
TRPA1 O75762 2/20 0.35
NUDT1 P36639 1/20 0.33
AXL P30530 1/20 0.33
PRKCI P41743 1/20 0.33

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
SCHEMBL21608307 0.82 DRD1 (0.38) DRD1ROCK1PIK3CDPIK3CAPIK3CB
SCHEMBL4550230 0.75 PDE3B (0.58) DRD1PDE3BPDE3APIK3CDTRPA1
SCHEMBL23877021 0.74 TRPA1 (0.45) DRD1ROCK1PIK3CDPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL29243587 0.73 TRPA1 (0.44) DRD1ROCK1PIK3CDPIK3CAPIK3CB
SCHEMBL5259159 0.72 NUDT1 (0.39) DRD1ROCK1PIK3CDPIK3CAPIK3CB
SCHEMBL14062242 0.71 PIK3C3 (0.49) PIK3CATRPA1NUDT1
SCHEMBL31098989 0.70 TTBK1 (0.64)
SCHEMBL14059926 0.69 NUDT1 (0.40) DRD1ROCK1TRPA1NUDT1
SCHEMBL3887252 0.68 NUDT1 (0.51) NUDT1
SCHEMBL15753484 0.68 HPGDS (0.47) NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210277003-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-09-09 US disclosed
US-20210130352-A1 OGA INHIBITOR COMPOUNDS JANSSEN-CILAG S.A. (ES) 2021-05-06 US disclosed
WO-2019243535-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
WO-2019243533-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 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 (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-20210277003-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN DRD1 4678/4885PDE3B 4226/4885PDE3A 4006/4885
US-20210130352-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN DRD1 4678/4885PDE3B 4226/4885PDE3A 4006/4885

“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.