SCHEMBL21818745

SCHEMBL21818745

O=C(O)c1nccc2ncncc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
ASPH Q12797 2/20 0.41
KDM8 Q8N371 2/20 0.41
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
AGER Q15109 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
HCAR2 Q8TDS4 3/20 0.36
CYP1A2 P05177 1/20 0.35
EGFR P00533 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CSNK2A2 P19784 3/20 0.34
CSNK2B P67870 2/20 0.34
CYP19A1 P11511 1/20 0.34

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
SCHEMBL31133357 1.00 KDM4E (0.41) KDM4EASPHKDM8MAPTALDH1A1
SCHEMBL360964 0.74 KDM4E (0.55) KDM4EASPHKDM8MAPTALDH1A1
SCHEMBL22589118 0.73 EGFR (0.38) SLC22A12EGFR
Hydrochloric Acid SCHEMBL4408378 0.73 KDM4E (0.53) KDM4EASPHKDM8MAPTALDH1A1
SCHEMBL27890835 0.71 NR4A1 (0.44) KDM4EMAPTALDH1A1CYP3A4ALOX15
SCHEMBL12123788 0.69 CYP2A6 (0.41) CYP1A2EGFR
SCHEMBL21893449 0.69 PI4KA (0.45) EGFR
SCHEMBL30165038 0.69 PI4KA (0.45) EGFR
SCHEMBL8413518 0.69 KDM4C (0.52) KDM4EASPHKDM8MAPTALDH1A1
SCHEMBL29935728 0.69 EGFR (0.34) SLC22A12EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 US disclosed
EP-3856178-B1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2026-03-11 EP 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-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
EP-3856178-A1 MONOACYLGLYCEROL LIPASE MODULATORS Janssen Pharmaceutica NV (BE) 2021-08-04 EP disclosed
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
US-20200102303-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP KDM4E 2437/4885ASPH 3750/4885KDM8 2612/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH KDM4E 3565/4885ASPH 2306/4885KDM8 3563/4885
US-20200102303-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP KDM4E 2437/4885ASPH 3750/4885KDM8 2612/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP KDM4E 2437/4885ASPH 3750/4885KDM8 2612/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP KDM4E 2437/4885ASPH 3750/4885KDM8 2612/4885

“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.