SCHEMBL4518368

SCHEMBL4518368

CC[C@@H](N)CN(C)c1ccnc(-c2cc(-c3cc[nH]n3)ccc2O)n1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 2/20 0.43
PRKD1 Q15139 2/20 0.43
PRKD2 Q9BZL6 2/20 0.43
ESR1 P03372 1/20 0.33
ESR2 Q92731 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
SCHEMBL4518381 1.00 PRKD3 (0.43) PRKD3PRKD1PRKD2ESR1ESR2
SCHEMBL4518375 1.00 PRKD3 (0.43) PRKD3PRKD1PRKD2ESR1ESR2
SCHEMBL4516717 0.87 ESR1 (0.37) PRKD3PRKD1PRKD2ESR1ESR2
SCHEMBL4516699 0.87 ESR1 (0.37) PRKD3PRKD1PRKD2ESR1ESR2
SCHEMBL4516710 0.87 ESR1 (0.37) PRKD3PRKD1PRKD2ESR1ESR2
SCHEMBL4514171 0.85 PRKD3 (0.45) PRKD3PRKD1PRKD2
SCHEMBL4514167 0.85 PRKD3 (0.45) PRKD3PRKD1PRKD2
SCHEMBL4514159 0.85 PRKD3 (0.45) PRKD3PRKD1PRKD2
SCHEMBL14865911 0.81 PRKD3 (0.41) PRKD3PRKD1PRKD2ESR1ESR2
SCHEMBL4516698 0.80 CDK9 (0.41) PRKD3PRKD1PRKD2

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 4 patents. 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
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 US disclosed
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 US disclosed
WO-2007125331-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-11-08 WO 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.