SCHEMBL4404591

SCHEMBL4404591

CC(C)(C)c1cccc(-n2nccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.46
NOTUM Q6P988 2/20 0.42
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
OPRD1 P41143 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
ACLY P53396 1/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
ESRRA P11474 1/20 0.37
CTSK P43235 1/20 0.36
ACHE P22303 3/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
EPHX2 P34913 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL14961833 0.79 ACLY (0.39) NOTUMACLYHCRTR1HCRTR2LMNA
SCHEMBL30648256 0.78 KDM4E (0.53) KIF11NOTUMHDAC4HDAC2HDAC8
SCHEMBL29145880 0.78 KDM4E (0.53) KIF11NOTUMHDAC4HDAC2HDAC8
SCHEMBL4406625 0.77 NOTUM (0.44) KIF11NOTUMKEAP1NFE2L2ESRRA
SCHEMBL12457429 0.75 KIF11 (0.45) KIF11ACHELMNA
SCHEMBL1646480 0.74 KIF11 (0.40) KIF11NOTUMHDAC4HDAC2HDAC8
SCHEMBL24656150 0.73 GABRA1 (0.35) OPRK1LMNAPOLB
SCHEMBL21848986 0.73 CYP11B2 (0.38)
SCHEMBL21849237 0.73 OPRD1 (0.44) KIF11NOTUMHDAC4HDAC2HDAC8
SCHEMBL2616599 0.72 MAPT (0.50) KIF11NOTUMHDAC4HDAC2HDAC8

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 24 patents — showing the first 20. 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-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20200172529-A1 Chemical Compound, Pharmaceutical Composition Thereof, and Use and Application Thereof BEIJING HANMI PHARM. CO., LTD. (CN) 2020-06-04 US disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 US disclosed
US-9499535-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2016-11-22 US disclosed
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
US-20120329785-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 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 (13 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-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP KIF11 2128/4885NOTUM 824/4885HDAC4 968/4885
US-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK KIF11 1587/4885NOTUM 3651/4885HDAC4 3300/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK KIF11 1421/4885NOTUM 4550/4885HDAC4 4049/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP KIF11 2411/4885NOTUM 931/4885HDAC4 830/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK KIF11 1587/4885NOTUM 3651/4885HDAC4 3300/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 KIF11 1823/4885NOTUM 4349/4885HDAC4 3144/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP KIF11 2128/4885NOTUM 824/4885HDAC4 968/4885
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK KIF11 3869/4885NOTUM 1057/4885HDAC4 866/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK KIF11 1709/4885NOTUM 3654/4885HDAC4 3481/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK KIF11 1709/4885NOTUM 3654/4885HDAC4 3481/4885
US-20200172529-A1 Chemical Compound, Pharmaceutical Composition Thereof, and Use and Application Thereof SYK, JAK1, JAK2 KIF11 2730/4885NOTUM 592/4885HDAC4 3685/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK KIF11 3869/4885NOTUM 1057/4885HDAC4 866/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP KIF11 2411/4885NOTUM 931/4885HDAC4 830/4885

“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.