SCHEMBL4898423

SCHEMBL4898423

Fc1c(COCC(Cc2c[nH]cn2)Nc2nccc(-c3ccc4ccccc4c3)n2)cccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.35
GSK3B P49841 2/20 0.35
CDC7 O00311 1/20 0.35
MAP4K4 O95819 1/20 0.35
PIM1 P11309 1/20 0.35
PRKACA P17612 1/20 0.35
HIPK2 Q9H2X6 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
RET P07949 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
MAPK1 P28482 1/20 0.33
DKK1 O94907 1/20 0.32
CCNA2 P20248 2/20 0.31
CCNA1 P78396 2/20 0.31
NR1H2 P55055 1/20 0.31
HDAC8 Q9BY41 1/20 0.30

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 0.83 DKK1 (0.37) GSK3BMAPK1DKK1HDAC8
SCHEMBL4904065 0.79 DKK1 (0.31) GSK3BDKK1
SCHEMBL4903644 0.78 DKK1 (0.40) CDK2GSK3BMAPK1DKK1CCNA2
SCHEMBL4906920 0.78 HDAC8 (0.36) CDK2GSK3BCDC7MAP4K4PRKACA
SCHEMBL4911695 0.74 NPC1 (0.38) GSK3BMAP4K4ABL1CLK4DYRK1B
SCHEMBL4897636 0.71 HDAC8 (0.41) GSK3BDKK1HDAC8
SCHEMBL4904668 0.67 DKK1 (0.43) CDK2GSK3BPIM1MKNK2DKK1
SCHEMBL4908664 0.67 IKBKB (0.39) CDK2CDC7CCNA2
SCHEMBL4909060 0.65 IKBKB (0.36)
SCHEMBL4906550 0.63 RAB9A (0.34) GSK3BCLK2DYRK1ACLK4DYRK1B

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 CDK2 122/4885GSK3B 130/4885CDC7 955/4885

“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.