SCHEMBL2877638

SCHEMBL2877638

O=C(O)c1cnn2ncccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.43
CDK2 P24941 1/20 0.43
GSK3B P49841 1/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
CCNK O75909 2/20 0.40
CDK12 Q9NYV4 2/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
AGER Q15109 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DYRK1A Q13627 2/20 0.40
NAPRT Q6XQN6 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL4488831 0.84 MAPK1 (0.42) PKMKDM4ECCNKCDK12MAPT
SCHEMBL25562784 0.80 PKM (0.40) CDK4CDK2GSK3BPKMKDM4E
SCHEMBL15232211 0.80 ALDH1A1 (0.44) PKMKDM4ECCNKCDK12ALDH1A1
SCHEMBL20074133 0.76 POLB (0.52) PKMTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL4467882 0.74 HTT (0.44) TDP1CCNKCDK12MAPTALDH1A1
SCHEMBL21816394 0.72 KDM4E (0.42) KDM4ETDP1MAPTL3MBTL1ALDH1A1
SCHEMBL21893562 0.72 KDM4E (0.45) PKMKDM4ETDP1ALDH1A1DYRK1A
SCHEMBL28921667 0.70 KDM4E (0.44) PKMKDM4ETDP1ALDH1A1DYRK1A
SCHEMBL416200 0.70 EPHB3 (0.56) KDM4EMAPTALDH1A1TSHRNPSR1
SCHEMBL7304782 0.69 KDM4E (0.50) KDM4ETDP1ALDH1A1NR4A3

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58144388-A None JP disclosed
EP-3856179-B1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2026-05-13 EP disclosed
US-20240327410-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2024-10-03 US disclosed
CN-113164458-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-13 CN 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
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 US disclosed
EP-3623371-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS Axovant Sciences GmbH (CH) 2020-03-18 EP disclosed
US-10183938-B2 Geminal substituted quinuclidine amide compounds as agonists of α-7 nicotonic acetylcholine receptors AXOVANT SCIENCES GMBH (CH) 2019-01-22 US disclosed
US-20170369486-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTONIC ACETYLCHOLINE RECEPTORS AXOVANT SCIENCES GMBH (CH) 2017-12-28 US disclosed
US-20170369486-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTONIC ACETYLCHOLINE RECEPTORS AXOVANT SCIENCES GMBH (CH) 2017-12-28 US disclosed
EP-3233087-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS Axovant Sciences GmbH (DE) 2017-10-25 EP disclosed
EP-2820008-B1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES GENENTECH INC (US) 2016-12-14 EP disclosed
WO-2016100184-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2016-06-23 WO disclosed
US-20160002266-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES GENENTECH, INC. (US) 2016-01-07 US disclosed
WO-2013127269-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES GENENTECH,INC. (US) 2013-09-06 WO disclosed
US-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MSD K.K. (JP) 2010-12-23 US disclosed
JP-S58144388-A PREPARATION OF PYRAZOLO(1,5-B)PYRIDAZINES MITSUBISHI PAPER MILLS LTD 1983-08-27 JP 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 (10 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-20160002266-A1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES STS, AADAC, SULT2A1 CDK4 1143/4885CDK2 1060/4885GSK3B 4564/4885
US-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CDK4 2404/4885CDK2 1988/4885GSK3B 749/4885
US-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MC1R, MCHR1, MCHR2 CDK4 1570/4885CDK2 829/4885GSK3B 1829/4885
US-11993601-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CDK4 2404/4885CDK2 1988/4885GSK3B 749/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CDK4 2404/4885CDK2 1988/4885GSK3B 749/4885
US-11597728-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CDK4 2404/4885CDK2 1988/4885GSK3B 749/4885
US-10183938-B2 Geminal substituted quinuclidine amide compounds as agonists of α-7 nicotonic acetylcholine receptors CHRNA7, CHRNA6, CHRNA5 CDK4 4498/4885CDK2 2782/4885GSK3B 1666/4885
US-20170369486-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTONIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA6, CHRNA5 CDK4 4526/4885CDK2 2746/4885GSK3B 1855/4885
US-20240327410-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CDK4 2404/4885CDK2 1988/4885GSK3B 749/4885
US-20220315583-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CDK4 2404/4885CDK2 1988/4885GSK3B 749/4885

“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.