SCHEMBL4508530

SCHEMBL4508530

CCC(N)CN(C)c1ccnc(-c2cc(-c3cnn(C)c3)ccc2O)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 2/20 0.67
PRKD1 Q15139 2/20 0.67
PRKD2 Q9BZL6 2/20 0.67
WNT1 P04628 5/20 0.36
GSK3B P49841 5/20 0.36
DYRK1A Q13627 5/20 0.36
CLK2 P49760 3/20 0.36
CLK3 P49761 3/20 0.36
IRAK4 Q9NWZ3 5/20 0.35
IRAK1 P51617 4/20 0.35
LRRK2 Q5S007 1/20 0.35
MAP4K4 O95819 1/20 0.34
KCNH2 Q12809 1/20 0.34
ATM Q13315 1/20 0.34
ATR Q13535 1/20 0.34
TTK P33981 2/20 0.34
EGFR P00533 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
SMARCA2 P51531 1/20 0.34
SMARCA4 P51532 1/20 0.34

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
SCHEMBL4508519 1.00 PRKD3 (0.67) PRKD3PRKD1PRKD2WNT1GSK3B
SCHEMBL4508525 1.00 PRKD3 (0.67) PRKD3PRKD1PRKD2WNT1GSK3B
SCHEMBL4514347 0.87 PRKD3 (0.55) PRKD3PRKD1PRKD2WNT1GSK3B
SCHEMBL4514343 0.87 PRKD3 (0.55) PRKD3PRKD1PRKD2WNT1GSK3B
SCHEMBL4514335 0.87 PRKD3 (0.55) PRKD3PRKD1PRKD2WNT1GSK3B
SCHEMBL4520412 0.87 PRKD3 (0.51) PRKD3PRKD1PRKD2KCNH2
SCHEMBL4520418 0.87 PRKD3 (0.51) PRKD3PRKD1PRKD2KCNH2
SCHEMBL4520417 0.87 PRKD3 (0.51) PRKD3PRKD1PRKD2KCNH2
SCHEMBL4513736 0.86 PRKD3 (0.51) PRKD3PRKD1PRKD2LRRK2MAP4K4
SCHEMBL4513754 0.86 PRKD3 (0.51) PRKD3PRKD1PRKD2LRRK2MAP4K4

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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE PKD2, PKD1, AADAT PRKD3 9/4885PRKD1 49/4885PRKD2 18/4885

“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.