SCHEMBL3644530

SCHEMBL3644530

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.48
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 1/20 0.47
KDM1A O60341 1/20 0.46
USP30 Q70CQ3 2/20 0.45
DKK1 O94907 4/20 0.45
CYP11B2 P19099 1/20 0.43
GSK3B P49841 2/20 0.43
CDC7 O00311 1/20 0.43
ROCK2 O75116 1/20 0.43
CCNB2 O95067 1/20 0.43
MAP4K4 O95819 1/20 0.43
CDK1 P06493 1/20 0.43
RET P07949 1/20 0.43
CCNB1 P14635 1/20 0.43
PRKACA P17612 1/20 0.43
CDK2 P24941 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
HIPK2 Q9H2X6 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
SCHEMBL3648665 1.00 VCP (0.48) VCPSLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL3648469 0.93 VCP (0.53) VCPSLC6A2SLC6A4USP30DKK1
SCHEMBL3652064 0.91 VCP (0.49) VCPUSP30DKK1CYP11B2GSK3B
SCHEMBL3650514 0.87 CYP11B2 (0.50) VCPKDM1AUSP30DKK1CYP11B2
SCHEMBL3650345 0.81 IKBKB (0.58) DKK1GSK3BCDK1CCNB1CDK2
SCHEMBL3644162 0.81 IKBKB (0.58) DKK1GSK3BCDK1CCNB1CDK2
SCHEMBL3646526 0.78 DKK1 (0.54) VCPUSP30DKK1CYP11B2GSK3B
SCHEMBL3644540 0.78 IKBKB (0.67) DKK1GSK3BMAP4K4CDK1CCNB1
SCHEMBL3651225 0.78 USP30 (0.47) VCPUSP30DKK1CYP11B2GSK3B
SCHEMBL3643894 0.78 VCP (0.51) VCPUSP30DKK1CYP11B2GSK3B

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-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
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
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 VCP 1955/4885SLC6A2 1340/4885SLC6A4 1591/4885

“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.