SCHEMBL4520418

SCHEMBL4520418

CCC(N)CN(C)c1ccnc(-c2cc(-c3cnn(-c4ccccc4)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
▸ GRM4 Q14833 12/20 0.37
▸ KCNH2 Q12809 2/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CCNC P24863 1/20 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
SCHEMBL4520412 1.00 PRKD3 (0.51) PRKD3PRKD1PRKD2GRM4KCNH2
SCHEMBL4520417 1.00 PRKD3 (0.51) PRKD3PRKD1PRKD2GRM4KCNH2
SCHEMBL4508525 0.87 PRKD3 (0.67) PRKD3PRKD1PRKD2KCNH2
SCHEMBL4508530 0.87 PRKD3 (0.67) PRKD3PRKD1PRKD2KCNH2
SCHEMBL4508519 0.87 PRKD3 (0.67) PRKD3PRKD1PRKD2KCNH2
SCHEMBL4505230 0.84 PRKD3 (0.44) PRKD3PRKD1PRKD2
SCHEMBL4505243 0.84 PRKD3 (0.44) PRKD3PRKD1PRKD2
SCHEMBL4505238 0.84 PRKD3 (0.44) PRKD3PRKD1PRKD2
SCHEMBL4513736 0.79 PRKD3 (0.51) PRKD3PRKD1PRKD2MAPK1
SCHEMBL4513754 0.79 PRKD3 (0.51) PRKD3PRKD1PRKD2MAPK1

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.

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