SCHEMBL21894380

SCHEMBL21894380

Cc1nn2ccnc(C)c2c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 3/20 0.34
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
RECQL P46063 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
ALKBH1 Q13686 1/20 0.32
NTRK1 P04629 2/20 0.32
PIM1 P11309 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 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
Potassium Ion SCHEMBL21818488 0.83 POLB (0.30) POLBTDP1L3MBTL1
SCHEMBL22445982 0.83 POLB (0.36) POLBTDP1L3MBTL1CYP1A2CYP2C9
SCHEMBL21894381 0.81 MTNR1A (0.37) POLBTDP1L3MBTL1CYP1A2CYP2C9
SCHEMBL21818303 0.80 PDE4D (0.48) LMNAKDM4EMAPTGAA
SCHEMBL21894547 0.74 PIK3CG (0.33)
SCHEMBL3265389 0.73 POLB (0.44) POLBTDP1L3MBTL1CYP1A2CYP2C9
SCHEMBL3714513 0.71 PIK3CG (0.51) POLBTDP1L3MBTL1CYP1A2CYP2C9
SCHEMBL29241266 0.70 POLB (0.45) POLBTDP1L3MBTL1CYP1A2CYP2C9
Potassium Ion SCHEMBL21818856 0.69 MTNR1A (0.34)
SCHEMBL24655984 0.68 PIK3CG (0.30)

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
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 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 (3 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP POLB 2269/4885TDP1 1034/4885L3MBTL1 721/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP POLB 2269/4885TDP1 1034/4885L3MBTL1 721/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP POLB 2269/4885TDP1 1034/4885L3MBTL1 721/4885

“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.