SCHEMBL4906880

SCHEMBL4906880

Cc1ccc(-c2ccnc(N[C@H](CO)Cc3cn(CC(=O)c4ccc(C(F)(F)F)cc4)cn3)n2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 1/20 0.35
DHODH Q02127 1/20 0.34
TRPV3 Q8NET8 7/20 0.34
CDK2 P24941 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGER4 P35408 1/20 0.32
IKBKB O14920 1/20 0.32
DKK1 O94907 1/20 0.32
GSK3B P49841 1/20 0.32
SYK P43405 2/20 0.32
MAPK1 P28482 1/20 0.31
SRC P12931 1/20 0.31
ZAP70 P43403 1/20 0.31
DYRK3 O43781 1/20 0.31
CCNT1 O60563 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK9 P50750 1/20 0.31
CDK5 Q00535 1/20 0.31

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
SCHEMBL4902936 0.80 DHODH (0.35) AKT3DHODHTRPV3CDK2IKBKB
SCHEMBL4904628 0.77 MAPK1 (0.35) AKT3DHODHTRPV3CDK2IKBKB
SCHEMBL4904546 0.77 IKBKB (0.35) AKT3DHODHCDK2IKBKBDKK1
SCHEMBL4897686 0.76 IKBKB (0.34) AKT3DHODHCDK2IKBKBDKK1
SCHEMBL4906573 0.76 AKT3 (0.37) AKT3DHODHCDK2IKBKBDKK1
SCHEMBL4905945 0.75 CPB1 (0.36) AKT3DHODHCDK2IKBKBDKK1
SCHEMBL4896126 0.71 IKBKB (0.45) AKT3TRPV3CDK2IKBKBGSK3B
SCHEMBL4896119 0.69 MAPK1 (0.37) CDK2DKK1GSK3BMAPK1CCNA2
SCHEMBL4895978 0.67 IKBKB (0.40) TRPV3CDK2IKBKBMAPK1CCNT1
SCHEMBL4906299 0.67 IKBKB (0.41) AKT3TRPV3CDK2IKBKBMAPK1

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 301/4885DHODH 1475/4885TRPV3 2056/4885

“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.