SCHEMBL4906573

SCHEMBL4906573

Cc1ccc(-c2ccnc(N[C@H](CO)Cc3cn(Cc4cc(Cl)nc(Cl)c4)cn3)n2)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 10/20 0.37
MAPK1 P28482 4/20 0.35
CCNK O75909 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
CCNA2 P20248 5/20 0.33
CDK2 P24941 5/20 0.33
MAPK3 P27361 3/20 0.33
MET P08581 1/20 0.33
KIT P10721 1/20 0.33
PRKCA P17252 1/20 0.33
PRKACA P17612 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
CAMK2A Q9UQM7 1/20 0.33
CCNA1 P78396 3/20 0.33
CACNA1B Q00975 3/20 0.33
IKBKB O14920 1/20 0.32
DKK1 O94907 1/20 0.32

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
SCHEMBL4904628 0.90 MAPK1 (0.35) AKT3MAPK1CCNKCDK12CCNA2
SCHEMBL4902936 0.82 DHODH (0.35) AKT3MAPK1CCNKCDK12CCNA2
SCHEMBL4904546 0.81 IKBKB (0.35) AKT3MAPK1CCNKCDK12CCNA2
SCHEMBL4897686 0.79 IKBKB (0.34) AKT3MAPK1CCNKCDK12CCNA2
SCHEMBL4906911 0.77 IKBKB (0.42) MAPK1IKBKB
SCHEMBL4905945 0.77 CPB1 (0.36) AKT3CCNKCDK12CCNA2CDK2
SCHEMBL4902914 0.72 TRHDE (0.38) MAPK1CCNA2CDK2MAPK3DKK1
SCHEMBL4895978 0.71 IKBKB (0.40) MAPK1CCNKCDK12CCNA2CDK2
SCHEMBL4906299 0.70 IKBKB (0.41) AKT3MAPK1CCNA2CDK2IKBKB
SCHEMBL4906993 0.70 IKBKB (0.41) AKT3MAPK1IKBKB

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 AKT3 301/4885MAPK1 1144/4885CCNK 279/4885

“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.