SCHEMBL4516756

SCHEMBL4516756

CC[C@H](N)CNc1ccnc(-c2cc(-c3cccc(F)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
FYN P06241 1/20 0.39
HRH3 Q9Y5N1 1/20 0.35
LRRK2 Q5S007 1/20 0.35
CHEK2 O96017 1/20 0.35
MAPT P10636 2/20 0.34
ALOX15 P16050 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HSP90AA1 P07900 1/20 0.34
HPGD P15428 1/20 0.34
TOP2A P11388 1/20 0.34
LMNA P02545 3/20 0.34
TSHR P16473 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 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
SCHEMBL4516750 1.00 PRKD3 (0.68) PRKD3PRKD1PRKD2FYNHRH3
SCHEMBL4516758 1.00 PRKD3 (0.68) PRKD3PRKD1PRKD2FYNHRH3
SCHEMBL3986227 0.91 PRKD3 (0.71) PRKD3PRKD1PRKD2FYNHRH3
SCHEMBL3986232 0.91 PRKD3 (0.71) PRKD3PRKD1PRKD2FYNHRH3
SCHEMBL4520964 0.91 PRKD3 (0.71) PRKD3PRKD1PRKD2FYNHRH3
SCHEMBL8229748 0.90 PRKD3 (0.70) PRKD3PRKD1PRKD2HRH3MAPT
SCHEMBL4523059 0.90 PRKD3 (0.72) PRKD3PRKD1PRKD2HRH3MAPT
SCHEMBL4523066 0.90 PRKD3 (0.72) PRKD3PRKD1PRKD2HRH3MAPT
SCHEMBL4523068 0.90 PRKD3 (0.72) PRKD3PRKD1PRKD2HRH3MAPT
SCHEMBL4518283 0.89 PRKD3 (0.69) PRKD3PRKD1PRKD2HRH3MAPT

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.