SCHEMBL3650345

SCHEMBL3650345

c1ccc2cc(-c3ccnc(N[C@@H]4CCNC4)n3)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.58
MKNK1 Q9BUB5 3/20 0.56
MAPK10 P53779 3/20 0.56
MKNK2 Q9HBH9 2/20 0.56
HDAC8 Q9BY41 1/20 0.52
MAPK8 P45983 2/20 0.49
IRAK4 Q9NWZ3 1/20 0.47
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNA2 P20248 1/20 0.46
CCND1 P24385 1/20 0.46
CDK2 P24941 1/20 0.46
CCNA1 P78396 1/20 0.46
AURKA O14965 2/20 0.46
TTK P33981 2/20 0.46
AURKB Q96GD4 2/20 0.46
INCENP Q9NQS7 2/20 0.46
DKK1 O94907 2/20 0.45
GSK3B P49841 1/20 0.45

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
SCHEMBL3644162 1.00 IKBKB (0.58) IKBKBMKNK1MAPK10MKNK2HDAC8
SCHEMBL3644540 0.93 IKBKB (0.67) IKBKBMKNK1MAPK10MKNK2HDAC8
SCHEMBL3649159 0.88 IKBKB (0.62) IKBKBMKNK1MAPK10MKNK2HDAC8
SCHEMBL3643870 0.84 MAPK10 (0.58) IKBKBMAPK10MKNK2HDAC8MAPK8
SCHEMBL3648299 0.83 MAPK10 (0.60) IKBKBMAPK10MKNK2HDAC8MAPK8
SCHEMBL3648272 0.81 DKK1 (0.58) IKBKBMAPK10MKNK2HDAC8MAPK8
SCHEMBL3648269 0.81 DKK1 (0.58) IKBKBMAPK10MKNK2HDAC8MAPK8
SCHEMBL3648665 0.81 VCP (0.48) IKBKBMKNK2HDAC8IRAK4CDK1
SCHEMBL3644530 0.81 VCP (0.48) IKBKBMKNK2HDAC8IRAK4CDK1
SCHEMBL4493372 0.78 KCNH2 (0.64) IKBKBMAPK10HDAC8CDK2AURKA

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
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
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 IKBKB 1022/4885MKNK1 759/4885MAPK10 1068/4885

“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.