SCHEMBL3648299

SCHEMBL3648299

c1ccc2cc(-c3ccnc(NC4CCCCC4)n3)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 9/20 0.60
HDAC8 Q9BY41 1/20 0.55
CDK1 P06493 4/20 0.54
CCNB1 P14635 4/20 0.54
CCNB2 O95067 2/20 0.54
CCNB3 Q8WWL7 2/20 0.54
CDC7 O00311 1/20 0.54
PLK4 O00444 1/20 0.54
JAK2 O60674 1/20 0.54
MAP4K4 O95819 1/20 0.54
INSR P06213 1/20 0.54
CSF1R P07333 1/20 0.54
PIM1 P11309 1/20 0.54
PRKACA P17612 1/20 0.54
FLT1 P17948 1/20 0.54
TYK2 P29597 1/20 0.54
KDR P35968 1/20 0.54
FLT3 P36888 1/20 0.54
GSK3B P49841 1/20 0.54
JAK3 P52333 1/20 0.54

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
SCHEMBL3643870 0.99 MAPK10 (0.58) MAPK10HDAC8CDK1CCNB1CCNB2
SCHEMBL3649159 0.88 IKBKB (0.62) MAPK10HDAC8CDK1CCNB1CCNB2
SCHEMBL3648272 0.87 DKK1 (0.58) MAPK10HDAC8CDK1CCNB1CCNB2
SCHEMBL3648269 0.87 DKK1 (0.58) MAPK10HDAC8CDK1CCNB1CCNB2
SCHEMBL3644540 0.87 IKBKB (0.67) MAPK10HDAC8CDK1CCNB1MAP4K4
SCHEMBL4529839 0.86 DKK1 (0.51) MAPK10HDAC8CDK1CCNB1CCNB2
SCHEMBL3772849 0.85 DGAT1 (0.54) MAPK10HDAC8CDK2MAPK8MAPK9
SCHEMBL3652731 0.83 HDAC8 (0.57) MAPK10HDAC8GSK3BCCNA2CDK2
SCHEMBL4529873 0.83 IKBKB (0.54) MAPK10HDAC8RETIKBKBADORA2A
SCHEMBL3652737 0.83 HDAC8 (0.57) MAPK10HDAC8GSK3BCCNA2CDK2

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 5 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
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-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 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 MAPK10 1068/4885HDAC8 1830/4885CDK1 493/4885

“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.