SCHEMBL4258285

SCHEMBL4258285

O=C(O)c1cnc(NC2CC2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.51
LCK P06239 3/20 0.51
HCAR3 P49019 3/20 0.46
HCAR2 Q8TDS4 1/20 0.46
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
FLT3 P36888 1/20 0.41
TYRO3 Q06418 1/20 0.41
MERTK Q12866 1/20 0.41
GAS6 Q14393 1/20 0.41
FFAR2 O15552 1/20 0.40
MAPT P10636 1/20 0.39
CCNA2 P20248 1/20 0.38

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
SCHEMBL17486825 0.85 LCK (0.53) MAPK14LCKHCAR3NPC1RAB9A
SCHEMBL16113996 0.77 LCK (0.50) MAPK14LCKNPC1RAB9AMAPT
SCHEMBL4254740 0.77 ITK (0.49) MAPK14LCKHCAR3MAPK13MAPK12
SCHEMBL15204733 0.75 LCK (0.34) MAPK14LCKHCAR2FFAR2CNR2
SCHEMBL15204470 0.75 LCK (0.34) MAPK14LCKHCAR2FFAR2CNR2
SCHEMBL4256153 0.74 RAB9A (0.65) MAPK14HCAR3HCAR2NPC1RAB9A
SCHEMBL22750823 0.74 HCAR2 (0.52) MAPK14HCAR2NPC1RAB9ACYP1A2
SCHEMBL23501638 0.74 MAPK14 (0.57) MAPK14LCKMAPK13MAPK12MAPK11
SCHEMBL16113874 0.74 SCD5 (0.46) MAPK14LCKNPC1RAB9AMAPT
SCHEMBL14172937 0.72 CDK2 (0.43) MAPK14LCKMAPTCDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-23 US claimed
EP-1841431-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-10-10 EP claimed
WO-2006081172-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-08-03 WO claimed
US-10301299-B2 Glycosidase inhibitors MERCK PATENT GMBH (DE) 2019-05-28 US disclosed
US-10301299-B2 Glycosidase inhibitors MERCK PATENT GMBH (DE) 2019-05-28 US disclosed
US-20180093977-A1 Glycosidase Inhibitors MERCK PATENT GMBH (DE) 2018-04-05 US disclosed
US-20180093977-A1 Glycosidase Inhibitors MERCK PATENT GMBH (DE) 2018-04-05 US disclosed
US-20180093977-A1 Glycosidase Inhibitors MERCK PATENT GMBH (DE) 2018-04-05 US disclosed
CN-105143222-B Glycosidase inhibitor 默克专利有限公司 2018-02-02 CN disclosed
US-9879001-B2 Glycosidase inhibitors MERCK PATENT GMBH (DE) 2018-01-30 US disclosed
US-9879001-B2 Glycosidase inhibitors MERCK PATENT GMBH (DE) 2018-01-30 US disclosed
US-20160031871-A1 Glycosidase Inhibitors YU HENRY (US) 2016-02-04 US disclosed
US-20160031871-A1 Glycosidase Inhibitors YU HENRY (US) 2016-02-04 US disclosed
EP-2970272-A1 GLYCOSIDASE INHIBITORS Merck Patent GmbH (DE) 2016-01-20 EP disclosed
CN-105143222-A Glycosidase inhibitors MERCK PATENT GMBH 2015-12-09 CN disclosed
WO-2014159234-A1 GLYCOSIDASE INHIBITORS MERCK PATENT GMBH (DE) 2014-10-02 WO disclosed
WO-2014159234-A1 GLYCOSIDASE INHIBITORS MERCK PATENT GMBH (DE) 2014-10-02 WO disclosed
US-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-23 US disclosed
EP-1841431-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-10-10 EP disclosed
WO-2006081172-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-08-03 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-20160031871-A1 Glycosidase Inhibitors GAA, BACE1, GBA3 MAPK14 4681/4885LCK 2993/4885HCAR3 822/4885
US-20090105250-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ABL1, BCR, PDGFRB MAPK14 461/4885LCK 56/4885HCAR3 3084/4885
US-10301299-B2 Glycosidase inhibitors GAA, BACE1, GBA3 MAPK14 4681/4885LCK 2993/4885HCAR3 822/4885
US-20180093977-A1 Glycosidase Inhibitors GAA, BACE1, GBA3 MAPK14 4681/4885LCK 2993/4885HCAR3 822/4885

“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.