SCHEMBL29985017

SCHEMBL29985017

[2H]c1cnc2cc(C=O)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.40
NPC1 O15118 5/20 0.40
CLK1 P49759 2/20 0.40
DYRK1A Q13627 2/20 0.40
DYRK2 Q92630 2/20 0.40
DYRK1B Q9Y463 2/20 0.40
PIK3CD O00329 1/20 0.40
CSNK2A2 P19784 1/20 0.40
MAOB P27338 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
MTOR P42345 1/20 0.40
PIK3CG P48736 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CISD1 Q9NZ45 1/20 0.40
CYP3A4 P08684 2/20 0.38
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 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
SCHEMBL29984441 0.90 ALDH1A1 (0.39) RAB9ANPC1CLK1DYRK1ADYRK2
SCHEMBL97820 0.86 RAB9A (0.49) RAB9ANPC1CLK1DYRK1ADYRK2
SCHEMBL29984850 0.75 NPC1 (0.44) RAB9ANPC1CLK1DYRK1ADYRK2
SCHEMBL17035972 0.73 RAB9A (0.41) RAB9ANPC1CLK1DYRK1ADYRK2
SCHEMBL31175293 0.73 CYP2A6 (0.37) RAB9ANPC1CYP3A4KDM4EALDH1A1
SCHEMBL16420054 0.71 ALDH1A1 (0.47) RAB9ANPC1CYP3A4KDM4EALDH1A1
SCHEMBL16420046 0.71 MAPT (0.47) RAB9ANPC1DYRK1ACSNK2A1CYP3A4
SCHEMBL29987161 0.71 HTT (0.47) PIK3CAALDH1A1MAPTNPSR1RXFP1
SCHEMBL21819460 0.69 MAPT (0.47) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
Quinoxaline SCHEMBL27879939 0.68 ALDH1A1 (0.46) RAB9ANPC1MTORCYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164458-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-13 CN claimed
US-20240327410-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2024-10-03 US disclosed
US-11993601-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV 2024-05-28 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-11597728-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-03-07 US disclosed
US-20220315583-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-06 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 (5 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-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP RAB9A 994/4885NPC1 826/4885CLK1 1710/4885
US-11993601-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP RAB9A 994/4885NPC1 826/4885CLK1 1710/4885
US-11597728-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP RAB9A 994/4885NPC1 826/4885CLK1 1710/4885
US-20240327410-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP RAB9A 994/4885NPC1 826/4885CLK1 1710/4885
US-20220315583-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP RAB9A 994/4885NPC1 826/4885CLK1 1710/4885

“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.