SCHEMBL4907640

SCHEMBL4907640

COc1ccc(C(C)=O)cc1Cn1cnc(C[C@@H](CO)Nc2nccc(-c3ccc4ccccc4c3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
SYK P43405 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
CAMKK2 Q96RR4 5/20 0.37
PIK3CG P48736 4/20 0.37
HDAC1 Q13547 1/20 0.37
MAPK8 P45983 4/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
GSK3B P49841 1/20 0.36
SPHK1 Q9NYA1 1/20 0.35
GAA P10253 1/20 0.35
IKBKB O14920 1/20 0.35
TRHDE Q9UKU6 1/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
MAPK3 P27361 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4908616 0.87 IKBKB (0.41) ALDH1A1KMT2AMEN1GAAIKBKB
SCHEMBL4904542 0.85 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1MAPK1L3MBTL1
SCHEMBL4902912 0.79 DKK1 (0.39) CAMKK2PIK3CGMAPK8GSK3BTRHDE
SCHEMBL4902914 0.78 TRHDE (0.38) GSK3BTRHDECCNA2CDK2MAPK3
SCHEMBL4896119 0.77 MAPK1 (0.37) GSK3BTRHDECCNA2CDK2MAPK3
SCHEMBL4906253 0.77 DKK1 (0.36) KMT2AMEN1GSK3BTRHDECCNA2
SCHEMBL4904630 0.77 DKK1 (0.36) KMT2AMEN1GSK3BTRHDECCNA2
SCHEMBL4904704 0.75 MAPK1 (0.41) SYKCAMKK2PIK3CGMAPK8GSK3B
SCHEMBL4900193 0.74 DKK1 (0.36) GSK3BTRHDECCNA2CDK2MAPK3
SCHEMBL4899730 0.69 MEN1 (0.44) KMT2AMEN1GSK3BCDK2MAPK1

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 ALDH1A1 2693/4885SYK 3667/4885AURKB 686/4885

“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.