SCHEMBL4498889

SCHEMBL4498889

CCC(N)CNc1ccnc(-c2cc(-c3cccnc3)ccc2O)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 2/20 0.70
PRKD1 Q15139 2/20 0.70
PRKD2 Q9BZL6 2/20 0.70
USP1 O94782 1/20 0.48
WDR48 Q8TAF3 1/20 0.48
CLK4 Q9HAZ1 12/20 0.43
CYP1A2 P05177 10/20 0.43
CYP3A4 P08684 9/20 0.43
CYP2D6 P10635 9/20 0.43
CYP2C19 P33261 8/20 0.43
ALOX15 P16050 5/20 0.43
HSD17B10 Q99714 6/20 0.43
TSHR P16473 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
USP2 O75604 3/20 0.43
KCNH2 Q12809 2/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL4498879 1.00 PRKD3 (0.70) PRKD3PRKD1PRKD2USP1WDR48
SCHEMBL4498885 1.00 PRKD3 (0.70) PRKD3PRKD1PRKD2USP1WDR48
SCHEMBL4508076 0.90 PRKD3 (0.73) PRKD3PRKD1PRKD2USP1WDR48
SCHEMBL4508068 0.90 PRKD3 (0.73) PRKD3PRKD1PRKD2USP1WDR48
SCHEMBL4508051 0.90 PRKD3 (0.73) PRKD3PRKD1PRKD2USP1WDR48
SCHEMBL4523066 0.90 PRKD3 (0.72) PRKD3PRKD1PRKD2USP1WDR48
SCHEMBL4523059 0.90 PRKD3 (0.72) PRKD3PRKD1PRKD2USP1WDR48
SCHEMBL4523068 0.90 PRKD3 (0.72) PRKD3PRKD1PRKD2USP1WDR48
SCHEMBL4510624 0.89 PRKD3 (0.72) PRKD3PRKD1PRKD2USP1WDR48
SCHEMBL4510634 0.89 PRKD3 (0.72) PRKD3PRKD1PRKD2USP1WDR48

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.