SCHEMBL4512723

SCHEMBL4512723

CC[C@@H](N)CNc1ccnc(-c2cc(-c3cnn(Cc4ccccc4)c3)ccc2O)n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKD3 O94806 2/20 0.74
▸ PRKD1 Q15139 2/20 0.74
▸ PRKD2 Q9BZL6 2/20 0.74
▸ MKNK1 Q9BUB5 3/20 0.42
▸ MKNK2 Q9HBH9 2/20 0.42
▸ COMT P21964 1/20 0.42
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PI4KA P42356 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ IKBKE Q14164 2/20 0.39
▸ TBK1 Q9UHD2 2/20 0.39
▸ ALK Q9UM73 1/20 0.39
▸ CREBBP Q92793 4/20 0.38
▸ JAK1 P23458 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ MAPK1 P28482 2/20 0.37

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
SCHEMBL4512734 1.00 PRKD3 (0.74) PRKD3PRKD1PRKD2MKNK1MKNK2
SCHEMBL4512731 1.00 PRKD3 (0.74) PRKD3PRKD1PRKD2MKNK1MKNK2
SCHEMBL4512245 0.87 PRKD3 (0.77) PRKD3PRKD1PRKD2PIK3CAJAK1
SCHEMBL4512250 0.87 PRKD3 (0.77) PRKD3PRKD1PRKD2PIK3CAJAK1
SCHEMBL4512238 0.87 PRKD3 (0.77) PRKD3PRKD1PRKD2PIK3CAJAK1
SCHEMBL4514725 0.85 PRKD3 (1.00) PRKD3PRKD1PRKD2
SCHEMBL4514713 0.85 PRKD3 (1.00) PRKD3PRKD1PRKD2
SCHEMBL4514722 0.85 PRKD3 (1.00) PRKD3PRKD1PRKD2
SCHEMBL4523068 0.85 PRKD3 (0.72) PRKD3PRKD1PRKD2MAPK1USP2
SCHEMBL4523066 0.85 PRKD3 (0.72) PRKD3PRKD1PRKD2MAPK1USP2

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 3 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
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.

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