SCHEMBL2261204

SCHEMBL2261204

CNc1n[nH]c2cc(Br)ccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.65
GSK3B P49841 4/20 0.58
PDPK1 O15530 2/20 0.58
JAK2 O60674 2/20 0.58
AXL P30530 1/20 0.47
IDO1 P14902 1/20 0.43
FADS1 O60427 1/20 0.41
DCLK1 O15075 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
CHEK2 O96017 1/20 0.40
CSF1R P07333 1/20 0.40
FER P16591 1/20 0.40
CDK2 P24941 1/20 0.40
MARK3 P27448 1/20 0.40
FLT4 P35916 1/20 0.40
FLT3 P36888 1/20 0.40
MAPK9 P45984 1/20 0.40
CSNK1D P48730 1/20 0.40
CLK2 P49760 1/20 0.40

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
SCHEMBL2671952 0.86 PDPK1 (0.58) DYRK1AGSK3BPDPK1JAK2AXL
SCHEMBL11695940 0.82 PDPK1 (0.62) DYRK1AGSK3BPDPK1JAK2AXL
SCHEMBL14942621 0.80 ITK (0.47) DYRK1AGSK3BFADS1MAP2K4
SCHEMBL4559733 0.80 DYRK1A (0.74) DYRK1AGSK3BPDPK1JAK2IDO1
SCHEMBL2926142 0.79 GSK3B (0.51) DYRK1AGSK3BPDPK1JAK2AXL
SCHEMBL31032803 0.79 MAP2K4 (0.62) GSK3BFADS1MAP2K4
SCHEMBL12292284 0.79 DYRK1A (0.42) DYRK1AGSK3BMAP2K4
SCHEMBL12365607 0.76 GSK3B (0.49) DYRK1AGSK3BPDPK1JAK2AXL
SCHEMBL12388929 0.76 GSK3B (0.50) DYRK1AGSK3BMAP2K4
SCHEMBL4486472 0.76 DYRK1A (0.76) DYRK1AGSK3BPDPK1JAK2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926319-B2 Pyridyl piperidines MERCK PATENT GMBH (DE) 2018-03-27 US disclosed
US-9926319-B2 Pyridyl piperidines MERCK PATENT GMBH (DE) 2018-03-27 US disclosed
US-20170107222-A1 PYRIDYL PIPERIDINES MERCK PATENT GMBH (DE) 2017-04-20 US disclosed
US-20170107222-A1 PYRIDYL PIPERIDINES MERCK PATENT GMBH (DE) 2017-04-20 US disclosed
EP-3122739-A1 PYRIDYL PIPERIDINES Merck Patent GmbH (DE) 2017-02-01 EP disclosed
EP-2952514-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Inc (US) 2015-12-09 EP disclosed
US-9181252-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-11-10 US disclosed
US-9181252-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-11-10 US disclosed
US-9181252-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-11-10 US disclosed
WO-2015144290-A1 PYRIDYL PIPERIDINES MERCK PATENT GMBH (DE) 2015-10-01 WO disclosed
US-7989461-B2 Substituted quinazolinamine compounds for the treatment of cancer AMGEN INC. (US) 2011-08-02 US disclosed
US-7989461-B2 Substituted quinazolinamine compounds for the treatment of cancer AMGEN INC. (US) 2011-08-02 US disclosed
US-7772231-B2 Substituted pyrazolo[3,4-d]pyrimidines as protein kinase inhibitors ABBOTT LABORATORIES (US) 2010-08-10 US disclosed
EP-1976836-A2 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES Amgen Inc. (US) 2008-10-08 EP disclosed
US-20070203143-A1 PROTEIN KINASE INHIBITORS ABBVIE INC. 2007-08-30 US disclosed
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007076092-A2 NITROGEN- CONTAINING BICYCLIC HETROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC. (US) 2007-07-05 WO disclosed
WO-2007076092-A2 NITROGEN- CONTAINING BICYCLIC HETROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC. (US) 2007-07-05 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 (3 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-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use BRAF, NRAS, RAF1 DYRK1A 560/4885GSK3B 229/4885PDPK1 346/4885
US-20170107222-A1 PYRIDYL PIPERIDINES WNT1, CTNNB1, WNT3 DYRK1A 2783/4885GSK3B 72/4885PDPK1 97/4885
US-20070203143-A1 PROTEIN KINASE INHIBITORS PACSIN2, MAP3K20, PHKG1 DYRK1A 937/4885GSK3B 353/4885PDPK1 85/4885

“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.