SCHEMBL3651986

SCHEMBL3651986

CCCCNc1nccc(-c2ccc3ccccc3c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DKK1 O94907 2/20 0.48
GSK3B P49841 1/20 0.48
PIM1 P11309 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
HRH4 Q9H3N8 1/20 0.45
DYRK1A Q13627 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
MAPK8 P45983 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
MERTK Q12866 5/20 0.44
FLT3 P36888 4/20 0.44
TYRO3 Q06418 4/20 0.44
GAS6 Q14393 4/20 0.44
PDPK1 O15530 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
THRB P10828 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL3644727 0.92 DKK1 (0.50) DKK1GSK3BPIM1PIM2DYRK1A
SCHEMBL4895933 0.87 MAPK1 (0.51) DKK1GSK3BPIM1PIM2DYRK1A
SCHEMBL4522330 0.84 EIF2AK2 (0.55) DKK1GSK3BPIM1PIM2DYRK1A
SCHEMBL3650785 0.83 GSK3B (0.47) DKK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL3651615 0.82 CDK2 (0.56) DKK1GSK3BPIM1PIM2HRH4
SCHEMBL4906020 0.81 DKK1 (0.43) DKK1GSK3BPIM1PIM2DYRK1A
SCHEMBL3647860 0.80 CCNT1 (0.47) DKK1GSK3BPIM1PIM2HRH4
SCHEMBL3650943 0.80 DKK1 (0.49) DKK1GSK3BHRH4DYRK1ACLK4
SCHEMBL3651697 0.80 DYRK1A (0.54) DKK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL14609754 0.80 DYRK1B (0.51) GSK3BHRH4CLK4DYRK1BMERTK

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190824-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM Wyeth a Corporation of the State of Delaware (US) 2010-06-02 EP claimed
WO-2009026326-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 WO claimed
WO-2009026319-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 WO claimed
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 US claimed
EP-2190824-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM Wyeth a Corporation of the State of Delaware (US) 2010-06-02 EP disclosed
WO-2009026319-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 WO disclosed
WO-2009026326-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 WO disclosed
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 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 (1 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-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT1, CTNNB1, WNT3A DKK1 9/4885GSK3B 28/4885PIM1 1521/4885

“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.