SCHEMBL4514347

SCHEMBL4514347

CCC(N)CN(C)c1cc(C)nc(-c2cc(-c3cnn(C)c3)ccc2O)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 2/20 0.55
PRKD1 Q15139 2/20 0.55
PRKD2 Q9BZL6 2/20 0.55
LMNA P02545 1/20 0.35
IRAK4 Q9NWZ3 4/20 0.34
IRAK1 P51617 3/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
SMARCA2 P51531 1/20 0.34
SMARCA4 P51532 1/20 0.34
LRRK2 Q5S007 2/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 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
SCHEMBL4514343 1.00 PRKD3 (0.55) PRKD3PRKD1PRKD2LMNAIRAK4
SCHEMBL4514335 1.00 PRKD3 (0.55) PRKD3PRKD1PRKD2LMNAIRAK4
SCHEMBL4508525 0.87 PRKD3 (0.67) PRKD3PRKD1PRKD2IRAK4IRAK1
SCHEMBL4508530 0.87 PRKD3 (0.67) PRKD3PRKD1PRKD2IRAK4IRAK1
SCHEMBL4508519 0.87 PRKD3 (0.67) PRKD3PRKD1PRKD2IRAK4IRAK1
SCHEMBL4499310 0.82 LMNA (0.38) PRKD3PRKD1PRKD2LMNAESR1
SCHEMBL4499302 0.82 LMNA (0.38) PRKD3PRKD1PRKD2LMNAESR1
SCHEMBL4499299 0.82 LMNA (0.38) PRKD3PRKD1PRKD2LMNAESR1
SCHEMBL14865914 0.81 LMNA (0.42) PRKD3PRKD1PRKD2LMNAESR1
SCHEMBL4510835 0.80 PRKD3 (0.77) PRKD3PRKD1PRKD2LMNAIRAK4

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.