SCHEMBL4514127

SCHEMBL4514127

CC[C@H](CNc1ccnc(-c2cc(I)ccc2O)n1)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKD3 O94806 2/20 0.43
▸ PRKD1 Q15139 2/20 0.43
▸ PRKD2 Q9BZL6 2/20 0.43
▸ SYK P43405 2/20 0.38
▸ PCSK9 Q8NBP7 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ AAK1 Q2M2I8 5/20 0.33
▸ APP P05067 3/20 0.33
▸ HSD17B10 Q99714 4/20 0.32
▸ MAPK1 P28482 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CLK4 Q9HAZ1 2/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ TP53 P04637 2/20 0.32
▸ XBP1 P17861 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32

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
SCHEMBL4049100 0.89 AAK1 (0.43) PRKD3PRKD1PRKD2SYKPCSK9
SCHEMBL3979090 0.86 PRKD3 (0.41) PRKD3PRKD1PRKD2SYKPCSK9
SCHEMBL3979083 0.86 PRKD3 (0.41) PRKD3PRKD1PRKD2SYKPCSK9
SCHEMBL4509909 0.80 EGFR (0.43) SYKATMALDH1A1CYP1A2ALOX15
SCHEMBL4081481 0.80 PRKD3 (0.35) PRKD3PRKD1PRKD2AAK1HSD17B10
SCHEMBL4501546 0.78 PRKD3 (0.64) PRKD3PRKD1PRKD2HSD17B10MAPK1
SCHEMBL4501551 0.78 PRKD3 (0.64) PRKD3PRKD1PRKD2HSD17B10MAPK1
SCHEMBL4501543 0.78 PRKD3 (0.64) PRKD3PRKD1PRKD2HSD17B10MAPK1
SCHEMBL4508610 0.76 SYK (0.39) SYKATMAAK1APPMAPK1
SCHEMBL3910866 0.76 SYK (0.39) SYKATMAAK1APPMAPK1

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.

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