SCHEMBL21603501

SCHEMBL21603501

Cc1cc(-c2cnn(C)c2)cc(C)c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
AURKA O14965 1/20 0.49
TTK P33981 1/20 0.49
AURKB Q96GD4 1/20 0.49
INCENP Q9NQS7 1/20 0.49
LRRK2 Q5S007 1/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PI4KA P42356 1/20 0.45
PIK3CG P48736 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
ERN1 O75460 3/20 0.42
AXL P30530 2/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42

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
SCHEMBL21603498 0.85 AURKA (0.41) ALDH1A1TP53CYP3A4TSHRTDP1
SCHEMBL15262189 0.81 AXL (0.42) AURKATTKAURKBINCENPLRRK2
SCHEMBL15507821 0.80 ALDH1A1 (0.59) ALDH1A1CYP3A4TSHRTDP1AURKA
SCHEMBL21779385 0.80 LRRK2 (0.60) AURKATTKAURKBINCENPLRRK2
SCHEMBL17809818 0.78 ERN1 (0.45) AURKATTKAURKBINCENPLRRK2
SCHEMBL20571081 0.78 MAP4K1 (0.45) AURKATTKAURKBINCENPLRRK2
SCHEMBL15889923 0.77 PIK3CD (0.49) TTKLRRK2PIK3CDPIK3CAPIK3CB
SCHEMBL16134053 0.77 AURKB (0.53) AURKATTKAURKBINCENPLRRK2
SCHEMBL17809710 0.77 ERN1 (0.52) AURKATTKAURKBINCENPPIK3CA
SCHEMBL15889932 0.77 ERN1 (0.46) AURKATTKAURKBINCENPLRRK2

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-2019243533-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
WO-2019243535-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 ALDH1A1 3839/4885TP53 787/4885CYP3A4 4278/4885
US-20210130352-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN ALDH1A1 3839/4885TP53 787/4885CYP3A4 4278/4885

“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.