SCHEMBL4903644

SCHEMBL4903644

OC[C@H](Cc1c[nH]cn1)Nc1nccc(-c2ccc3ccccc3c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DKK1 O94907 4/20 0.40
GSK3B P49841 1/20 0.40
MAPK1 P28482 5/20 0.37
HDAC8 Q9BY41 1/20 0.37
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
THRB P10828 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
MAPK8 P45983 1/20 0.34
CDK2 P24941 3/20 0.34
CCNA2 P20248 2/20 0.34
MAPK3 P27361 2/20 0.34
EIF2AK2 P19525 2/20 0.34
CCNE1 P24864 1/20 0.34
CDK5 Q00535 1/20 0.34
CCNK O75909 1/20 0.33

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
SCHEMBL4906712 0.85 DKK1 (0.37) DKK1GSK3BMAPK1HDAC8MEN1
SCHEMBL4897636 0.84 HDAC8 (0.41) DKK1GSK3BHDAC8SIRT2MAPK8
SCHEMBL4899730 0.83 MEN1 (0.44) DKK1GSK3BMAPK1HDAC8MEN1
SCHEMBL4906920 0.81 HDAC8 (0.36) DKK1GSK3BHDAC8MAPK8CDK2
SCHEMBL4906716 0.80 NEK1 (0.47) DKK1GSK3BMAPK1MAPK8CDK2
SCHEMBL4895715 0.80 NEK1 (0.47) DKK1GSK3BMAPK1MAPK8CDK2
SCHEMBL4898423 0.78 CDK2 (0.35) DKK1GSK3BMAPK1HDAC8CDK2
SCHEMBL4904668 0.78 DKK1 (0.43) DKK1GSK3BHDAC8MEN1NPC1
SCHEMBL14005720 0.77 NPSR1 (0.36) MAPK1KMT2ACDK2CCNA2EIF2AK2
SCHEMBL4904065 0.77 DKK1 (0.31) DKK1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT3A, CTNNB1, WNT1 DKK1 9/4885GSK3B 130/4885MAPK1 1144/4885

“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.