SCHEMBL3707769

SCHEMBL3707769

Cc1ccc2ncc(C=O)n2c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
KDM4E B2RXH2 4/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 6/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
THRB P10828 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL1865755 0.79 MAP3K14 (0.43) CYP1A2CYP2C9GAAALDH1A1RXFP1
SCHEMBL5100079 0.79 POLB (0.47) GAAALDH1A1MEN1KMT2APOLB
SCHEMBL3787763 0.79 ADORA2A (0.40) KDM4EALDH1A1HPGDPRMT5WDR77
SCHEMBL15829273 0.78 TNKS (0.38) CYP1A2CYP2C9KDM4EALDH1A1MEN1
SCHEMBL20801795 0.78 TYR (0.39) CYP1A2CYP2C9
SCHEMBL12098033 0.78 TGFBR1 (0.39) KDM4EALDH1A1SMN1; SMN2
SCHEMBL10238918 0.75 CYP1A2 (0.56) CYP1A2CYP2C9KDM4EGLAGAA
SCHEMBL21083339 0.75 TGFBR1 (0.56) CYP1A2CYP2C9KDM4EGLAGAA
SCHEMBL24997426 0.74 CYP1A2 (0.30) CYP1A2CYP2C9
SCHEMBL5634440 0.74 ALDH1A1 (0.51) KDM4EGLAGAAALDH1A1HPGD

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 9 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
EP-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 EP disclosed
EP-2391625-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF Domain Therapeutics (FR) 2011-12-07 EP disclosed
WO-2010084425-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF DOMAIN THERAPEUTICS (FR) 2010-07-29 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 (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 CYP1A2 540/4885CYP2C9 1000/4885KDM4E 2437/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH CYP1A2 611/4885CYP2C9 694/4885KDM4E 3565/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP1A2 540/4885CYP2C9 1000/4885KDM4E 2437/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CYP1A2 540/4885CYP2C9 1000/4885KDM4E 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.