SCHEMBL17364281

SCHEMBL17364281

CN(C)c1cc[n+](-c2ncnc3nc[nH]c23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.51
LRRK2 Q5S007 2/20 0.51
CHEK1 O14757 1/20 0.51
AURKA O14965 1/20 0.51
CHEK2 O96017 1/20 0.51
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
PRKACA P17612 1/20 0.51
CCNE1 P24864 1/20 0.51
CDK2 P24941 1/20 0.51
MARK3 P27448 1/20 0.51
RPS6KA3 P51812 1/20 0.51
PRKCD Q05655 1/20 0.51
MARK2 Q7KZI7 1/20 0.51
EGFR P00533 1/20 0.47
CSF1R P07333 1/20 0.47
HTT P42858 9/20 0.45
HSD17B10 Q99714 3/20 0.45
TP53 P04637 3/20 0.45
LMNA P02545 2/20 0.45

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
SCHEMBL17364293 0.80 KDM4E (0.44) PDPK1LRRK2CHEK1AURKACHEK2
SCHEMBL1272494 0.78 LMNA (0.47) PDPK1LRRK2CHEK1AURKACHEK2
SCHEMBL17367387 0.77 CA12 (0.33) PDPK1LRRK2CHEK1AURKACHEK2
Hydrochloric Acid SCHEMBL17364313 0.75 CA12 (0.35) PDPK1LRRK2CHEK1AURKACHEK2
Hydrochloric Acid SCHEMBL17364306 0.71 HTT (0.44) PDPK1LRRK2CHEK1AURKACHEK2
Dimethyladenine SCHEMBL29349831 0.69 LRRK2 (1.00) PDPK1LRRK2CHEK1AURKACHEK2
Dimethyladenine SCHEMBL152594 0.69 LRRK2 (1.00) PDPK1LRRK2CHEK1AURKACHEK2
Dimethyladenine SCHEMBL11157548 0.67 PDPK1 (0.96) PDPK1LRRK2CHEK1AURKACHEK2
SCHEMBL17367352 0.65 XDH (0.30) XDH
SCHEMBL27615224 0.65 PDPK1 (0.66) PDPK1LRRK2CHEK1AURKACHEK2

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-20150376219-A1 Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods ZHONG MINGHONG (US) 2015-12-31 US disclosed
US-20150376219-A1 Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods ZHONG MINGHONG (US) 2015-12-31 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-20150376219-A1 Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods PNP, ATIC, NT5C3B PDPK1 939/4885LRRK2 2211/4885CHEK1 1272/4885

“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.