SCHEMBL4909073

SCHEMBL4909073

OC[C@H](Cc1c[nH]c2ccccc12)Nc1nccc(-c2cccs2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.46
EIF2AK2 P19525 4/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GPR84 Q9NQS5 1/20 0.43
NEK1 Q96PY6 2/20 0.43
CDK9 P50750 2/20 0.42
CLK2 P49760 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
CDK5 Q00535 1/20 0.42
DYRK1A Q13627 1/20 0.42
TAOK1 Q7L7X3 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 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
SCHEMBL4904597 0.85 EIF2AK2 (0.49) ECE1EIF2AK2NEK1CDK9CCNT1
SCHEMBL4906716 0.82 NEK1 (0.47) EIF2AK2NEK1CDK9CLK2GSK3A
SCHEMBL4895715 0.82 NEK1 (0.47) EIF2AK2NEK1CDK9CLK2GSK3A
SCHEMBL12845603 0.70 AKT1 (0.52) SMN1; SMN2MEN1KMT2ANEK1CDK9
SCHEMBL14159172 0.69 MAPT (0.56) ECE1ALDH1A1GAASMN1; SMN2MEN1
SCHEMBL5003743 0.69 AKT3 (0.64) ECE1AKT1
SCHEMBL27685179 0.69 AKT3 (0.64) ECE1AKT1
SCHEMBL16203421 0.68 HTR2A (0.56) ECE1ALDH1A1GAASMN1; SMN2MEN1
SCHEMBL13594308 0.68 HTR2A (0.56) ECE1ALDH1A1GAASMN1; SMN2MEN1
SCHEMBL14286836 0.66 HTR2A (0.55) ECE1GAASMN1; SMN2MEN1KMT2A

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 ECE1 2884/4885EIF2AK2 276/4885NPC1 968/4885

“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.