SCHEMBL4512436

SCHEMBL4512436

CCC(N)CNc1ccnc(-c2cc(-c3cccc(Cl)c3)ccc2O)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 2/20 0.68
PRKD1 Q15139 2/20 0.68
PRKD2 Q9BZL6 2/20 0.68
HRH4 Q9H3N8 3/20 0.40
MAP4K4 O95819 4/20 0.38
FYN P06241 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
ESR2 Q92731 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
CDK5 Q00535 2/20 0.37
CDK5R1 Q15078 2/20 0.37
XBP1 P17861 1/20 0.37
STAT3 P40763 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
ALOX5 P09917 1/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.37
LMNA P02545 2/20 0.37

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
SCHEMBL4512433 1.00 PRKD3 (0.68) PRKD3PRKD1PRKD2HRH4MAP4K4
SCHEMBL4512429 1.00 PRKD3 (0.68) PRKD3PRKD1PRKD2HRH4MAP4K4
SCHEMBL8229748 0.90 PRKD3 (0.70) PRKD3PRKD1PRKD2CLK4SMN1; SMN2
SCHEMBL4523068 0.90 PRKD3 (0.72) PRKD3PRKD1PRKD2CLK4SMN1; SMN2
SCHEMBL4523066 0.90 PRKD3 (0.72) PRKD3PRKD1PRKD2CLK4SMN1; SMN2
SCHEMBL4523059 0.90 PRKD3 (0.72) PRKD3PRKD1PRKD2CLK4SMN1; SMN2
SCHEMBL4518268 0.89 PRKD3 (0.69) PRKD3PRKD1PRKD2DYRK1ACLK4
SCHEMBL4518283 0.89 PRKD3 (0.69) PRKD3PRKD1PRKD2DYRK1ACLK4
SCHEMBL4518280 0.89 PRKD3 (0.69) PRKD3PRKD1PRKD2DYRK1ACLK4
SCHEMBL3918583 0.89 PRKD3 (0.64) PRKD3PRKD1PRKD2DYRK1ACLK4

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.