SCHEMBL4510835

SCHEMBL4510835

CC[C@H](N)CNc1cc(C)nc(-c2cc(-c3cnn(C)c3)ccc2O)n1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKD3 O94806 2/20 0.77
▸ PRKD1 Q15139 2/20 0.77
▸ PRKD2 Q9BZL6 2/20 0.77
▸ MEN1 O00255 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ ATM Q13315 2/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ ATR Q13535 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4510838 1.00 PRKD3 (0.77) PRKD3PRKD1PRKD2MEN1ALDH1A1
SCHEMBL4510827 1.00 PRKD3 (0.77) PRKD3PRKD1PRKD2MEN1ALDH1A1
SCHEMBL4514713 0.87 PRKD3 (1.00) PRKD3PRKD1PRKD2ATMKCNH2
SCHEMBL4514725 0.87 PRKD3 (1.00) PRKD3PRKD1PRKD2ATMKCNH2
SCHEMBL4514722 0.87 PRKD3 (1.00) PRKD3PRKD1PRKD2ATMKCNH2
SCHEMBL14866129 0.87 PRKD3 (0.58) PRKD3PRKD1PRKD2MEN1ALDH1A1
Hydrochloric Acid SCHEMBL29565702 0.86 PRKD3 (0.98) PRKD3PRKD1PRKD2ATMKCNH2
SCHEMBL4518250 0.82 PRKD3 (0.54) PRKD3PRKD1PRKD2MEN1ALDH1A1
SCHEMBL4511925 0.82 PRKD3 (0.52) PRKD3PRKD1PRKD2MEN1ALDH1A1
SCHEMBL4511914 0.82 PRKD3 (0.52) PRKD3PRKD1PRKD2MEN1ALDH1A1

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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