SCHEMBL4902912

SCHEMBL4902912

NC(=O)Cn1cnc(C[C@@H](CO)Nc2nccc(-c3ccc4ccccc4c3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DKK1 O94907 4/20 0.39
GSK3B P49841 2/20 0.39
MAPK1 P28482 6/20 0.37
TRHDE Q9UKU6 1/20 0.35
CCNA2 P20248 3/20 0.35
CDK2 P24941 3/20 0.35
MAPK3 P27361 3/20 0.35
HDAC8 Q9BY41 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
PIK3CG P48736 3/20 0.35
MAPK8 P45983 2/20 0.35
CAMKK2 Q96RR4 2/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PRKDC P78527 1/20 0.34
MAPK14 Q16539 2/20 0.34
TNIK Q9UKE5 1/20 0.34
CDC7 O00311 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
SCHEMBL4896119 0.89 MAPK1 (0.37) DKK1GSK3BMAPK1TRHDECCNA2
SCHEMBL4904630 0.85 DKK1 (0.36) DKK1GSK3BMAPK1TRHDECCNA2
SCHEMBL4906253 0.85 DKK1 (0.36) DKK1GSK3BMAPK1TRHDECCNA2
SCHEMBL4896126 0.84 IKBKB (0.45) GSK3BCDK2MAPK8CDC7
SCHEMBL4902914 0.83 TRHDE (0.38) DKK1GSK3BMAPK1TRHDECCNA2
SCHEMBL4900193 0.82 DKK1 (0.36) DKK1GSK3BMAPK1TRHDECCNA2
SCHEMBL4904704 0.81 MAPK1 (0.41) DKK1GSK3BMAPK1CCNA2CDK2
SCHEMBL4907640 0.79 ALDH1A1 (0.39) GSK3BMAPK1TRHDECCNA2CDK2
SCHEMBL4899730 0.77 MEN1 (0.44) DKK1GSK3BMAPK1CDK2HDAC8
SCHEMBL4903644 0.76 DKK1 (0.40) DKK1GSK3BMAPK1CCNA2CDK2

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.