SCHEMBL4513765

SCHEMBL4513765

CCC(N)CN(C)c1ccnc(-c2cc(-c3cnn(CCN4CCOCC4)c3)ccc2O)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 2/20 0.51
PRKD1 Q15139 2/20 0.51
PRKD2 Q9BZL6 2/20 0.51
LIPC P11150 8/20 0.40
LIPG Q9Y5X9 3/20 0.40
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
PIK3CA P42336 1/20 0.38
IKBKE Q14164 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MAP4K4 O95819 1/20 0.36
MAPK1 P28482 1/20 0.36
LRRK2 Q5S007 1/20 0.36
ABL1 P00519 1/20 0.35
NTRK1 P04629 1/20 0.35
CSF1R P07333 1/20 0.35
NTRK2 Q16620 1/20 0.35

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
SCHEMBL4513754 1.00 PRKD3 (0.51) PRKD3PRKD1PRKD2LIPCLIPG
SCHEMBL4513736 1.00 PRKD3 (0.51) PRKD3PRKD1PRKD2LIPCLIPG
SCHEMBL8221865 0.89 PRKD3 (0.45) PRKD3PRKD1PRKD2LIPCLIPG
SCHEMBL4508519 0.86 PRKD3 (0.67) PRKD3PRKD1PRKD2MAP4K4LRRK2
SCHEMBL4508525 0.86 PRKD3 (0.67) PRKD3PRKD1PRKD2MAP4K4LRRK2
SCHEMBL4508530 0.86 PRKD3 (0.67) PRKD3PRKD1PRKD2MAP4K4LRRK2
SCHEMBL4520412 0.79 PRKD3 (0.51) PRKD3PRKD1PRKD2MAPK1
SCHEMBL4520418 0.79 PRKD3 (0.51) PRKD3PRKD1PRKD2MAPK1
SCHEMBL4520417 0.79 PRKD3 (0.51) PRKD3PRKD1PRKD2MAPK1
SCHEMBL4514159 0.75 PRKD3 (0.45) PRKD3PRKD1PRKD2LRRK2

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.