SCHEMBL6517684

SCHEMBL6517684

CN(N)c1ncnc2[nH]cnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.42
CHEK1 O14757 2/20 0.42
AURKA O14965 2/20 0.42
PDPK1 O15530 1/20 0.42
CHEK2 O96017 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
PRKACA P17612 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
MARK3 P27448 1/20 0.42
RPS6KA3 P51812 1/20 0.42
PRKCD Q05655 1/20 0.42
MARK2 Q7KZI7 1/20 0.42
CSF1R P07333 4/20 0.35
EGFR P00533 1/20 0.35
HSD17B10 Q99714 1/20 0.35
JAK3 P52333 6/20 0.33
JAK1 P23458 5/20 0.33
HTT P42858 2/20 0.33

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
Dimethyladenine SCHEMBL152593 0.86 LRRK2 (0.52) LRRK2CHEK1AURKAPDPK1CHEK2
Dimethyladenine SCHEMBL28476806 0.85 LRRK2 (0.50) LRRK2CHEK1AURKAPDPK1CHEK2
Dimethyladenine SCHEMBL11157543 0.85 LRRK2 (0.50) LRRK2CHEK1AURKAPDPK1CHEK2
SCHEMBL29100435 0.83 LRRK2 (0.41) LRRK2CHEK1AURKAPDPK1CHEK2
SCHEMBL5019519 0.80 HSD17B10 (0.39) LRRK2CHEK1AURKAPDPK1CHEK2
SCHEMBL401115 0.79 CHEK1 (0.37) LRRK2CHEK1AURKAPDPK1CHEK2
SCHEMBL10700195 0.79 CHEK1 (0.37) LRRK2CHEK1AURKAPDPK1CHEK2
SCHEMBL5019515 0.78 HTT (0.41) LRRK2CHEK1AURKAPDPK1CHEK2
SCHEMBL4572187 0.78 HTT (0.45) LRRK2CHEK1AURKAPDPK1CHEK2
SCHEMBL9589430 0.78 JAK1 (0.52) LRRK2JAK3JAK1JAK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043268-A1 Inhibition of viruses MEDICAL RESEARCH COUNCIL (GB) 2005-02-24 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-20050043268-A1 Inhibition of viruses RNASE1, HNRNPA1, RNASEH1 LRRK2 4089/4885CHEK1 4633/4885AURKA 4441/4885

“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.