SCHEMBL4906716

SCHEMBL4906716

OC[C@H](Cc1c[nH]c2ccccc12)Nc1nccc(-c2ccc3ccccc3c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 2/20 0.47
AKT1 P31749 9/20 0.46
EIF2AK2 P19525 3/20 0.44
GSK3B P49841 3/20 0.42
CDK2 P24941 2/20 0.42
PRKD3 O94806 2/20 0.42
PRKCG P05129 2/20 0.42
CDK1 P06493 2/20 0.42
PIM1 P11309 2/20 0.42
PRKACA P17612 2/20 0.42
AKT2 P31751 2/20 0.42
KDR P35968 2/20 0.42
CLK2 P49760 2/20 0.42
GSK3A P49840 2/20 0.42
RPS6KA3 P51812 2/20 0.42
PRKX P51817 2/20 0.42
PRKCD Q05655 2/20 0.42
MAP4K2 Q12851 2/20 0.42
DYRK1A Q13627 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42

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
SCHEMBL4895715 1.00 NEK1 (0.47) NEK1AKT1EIF2AK2GSK3BCDK2
SCHEMBL4904597 0.88 EIF2AK2 (0.49) NEK1AKT1EIF2AK2CDK2FLT3
SCHEMBL4909073 0.82 ECE1 (0.46) NEK1AKT1EIF2AK2GSK3BCDK2
SCHEMBL4899730 0.81 MEN1 (0.44) NEK1GSK3BCDK2CDK1PRKACA
SCHEMBL4903644 0.80 DKK1 (0.40) EIF2AK2GSK3BCDK2MAPK8CCNA2
SCHEMBL4907259 0.79 CCNT1 (0.66) EIF2AK2CDK2MKNK2CDK9CCNT1
SCHEMBL4906253 0.71 DKK1 (0.36) GSK3BCDK2CCNA2MAPK1DKK1
SCHEMBL4904630 0.71 DKK1 (0.36) GSK3BCDK2CCNA2MAPK1DKK1
SCHEMBL14161594 0.70 HPGDS (0.44) AKT1GSK3BCDK2PRKD3PRKCG
SCHEMBL4900193 0.70 DKK1 (0.36) GSK3BCDK2CCNA2MAPK1DKK1

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 NEK1 640/4885AKT1 194/4885EIF2AK2 276/4885

“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.