SCHEMBL3645314

SCHEMBL3645314

c1cncc(CNc2nccc(-c3ccc4ccccc4c3)n2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.70
CLK1 P49759 4/20 0.70
DYRK1A Q13627 3/20 0.70
CLK4 Q9HAZ1 3/20 0.70
CLK2 P49760 2/20 0.70
CLK3 P49761 2/20 0.70
DYRK1B Q9Y463 2/20 0.70
EIF2AK2 P19525 2/20 0.54
PIM1 P11309 1/20 0.52
HDAC3 O15379 3/20 0.52
NCOR1 O75376 2/20 0.52
HDAC2 Q92769 3/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC8 Q9BY41 1/20 0.51
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
DKK1 O94907 1/20 0.49
GSK3B P49841 1/20 0.49
MAPK13 O15264 1/20 0.48

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
SCHEMBL3648927 0.89 CDK2 (0.57) CDK2CLK1DYRK1ACLK4CLK2
SCHEMBL3651697 0.88 DYRK1A (0.54) CDK2CLK1DYRK1ACLK4CLK2
SCHEMBL3654446 0.86 DYRK1A (0.52) CDK2CLK1DYRK1ACLK4CLK2
SCHEMBL3651615 0.80 CDK2 (0.56) CDK2CLK1DYRK1ACLK4CLK2
SCHEMBL3654459 0.79 CLK4 (0.70) CLK1DYRK1ACLK4CLK2DYRK1B
SCHEMBL3651064 0.78 DKK1 (0.49) CDK2CLK1DYRK1ACLK4CLK2
SCHEMBL3645075 0.78 MKNK1 (0.60) CDK2CLK1DYRK1ACLK4CLK2
SCHEMBL18743019 0.77 WNT3A (0.56) CLK1DYRK1ACLK4CLK2DYRK1B
SCHEMBL3644727 0.76 DKK1 (0.50) CDK2CLK1DYRK1ACLK4CLK2
SCHEMBL4522330 0.76 EIF2AK2 (0.55) CDK2CLK1DYRK1ACLK4CLK2

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 10 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
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
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-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2008-11-20 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-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
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
US-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2008-11-20 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 (2 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-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT3A, CTNNB1, WNT1 CDK2 122/4885CLK1 1927/4885DYRK1A 1171/4885
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT1, CTNNB1, WNT3A CDK2 462/4885CLK1 2207/4885DYRK1A 3212/4885

“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.