SCHEMBL29935834

SCHEMBL29935834

Cc1ccnc2c(C=O)cnn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 4/20 0.37
HTT P42858 1/20 0.37
HSD11B1 P28845 2/20 0.37
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
HTR6 P50406 2/20 0.33
CSNK2B P67870 1/20 0.33
TLR8 Q9NR97 1/20 0.32
PTGS2 P35354 1/20 0.32
CREBBP Q92793 1/20 0.31
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31
MAP2K1 Q02750 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C9 P11712 1/20 0.30

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
SCHEMBL14264668 0.79 MAPT (0.36) ALDH1A1KDM4EHTTCCR1CCR5
SCHEMBL14264667 0.79 KDM4E (0.36) ALDH1A1KDM4EHTTCCR1CCR5
SCHEMBL11962828 0.76 KDM4E (0.59) ALDH1A1KDM4EHTTHSD11B1CCR1
SCHEMBL7364847 0.74 SMN1; SMN2 (0.55) ALDH1A1LMNAKDM4EHTTTLR8
SCHEMBL11482468 0.74 CLK4 (0.58) ALDH1A1KDM4ETLR8MAP2K1CLK4
SCHEMBL21893828 0.74 KDM4E (0.38) ALDH1A1KDM4EHTTHSD11B1HTR6
SCHEMBL7455976 0.73 SMPD3 (0.43) ALDH1A1KDM4EHTTHSD11B1HTR6
SCHEMBL13990648 0.73 AXL (0.43) LMNAKDM4EHTTHSD11B1HTR6
SCHEMBL24243513 0.72 KDM4E (0.57) ALDH1A1KDM4EHTR6CSNK2BTSHR
SCHEMBL359062 0.72 KDM4E (0.57) ALDH1A1KDM4EHSD11B1TLR8CREBBP

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-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN claimed
US-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 US disclosed
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 ALDH1A1 312/4885LMNA 1308/4885KDM4E 2437/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH ALDH1A1 587/4885LMNA 1988/4885KDM4E 3565/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ALDH1A1 312/4885LMNA 1308/4885KDM4E 2437/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP ALDH1A1 312/4885LMNA 1308/4885KDM4E 2437/4885

“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.