SCHEMBL4511053

SCHEMBL4511053

CC(C)C[C@@H](N)CNc1ccnc(-c2cc(Br)ccc2O)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKD3 O94806 2/20 0.52
▸ PRKD1 Q15139 2/20 0.52
▸ PRKD2 Q9BZL6 2/20 0.52
▸ HRH4 Q9H3N8 4/20 0.38
▸ PRKCI P41743 1/20 0.37
▸ SYK P43405 3/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ ALOX15 P16050 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ AGPAT2 O15120 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HIF1A Q16665 1/20 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
SCHEMBL4511061 1.00 PRKD3 (0.52) PRKD3PRKD1PRKD2HRH4PRKCI
SCHEMBL4511064 1.00 PRKD3 (0.52) PRKD3PRKD1PRKD2HRH4PRKCI
SCHEMBL3912247 0.89 PRKD3 (0.64) PRKD3PRKD1PRKD2HRH4ALDH1A1
SCHEMBL3912253 0.89 PRKD3 (0.64) PRKD3PRKD1PRKD2HRH4ALDH1A1
SCHEMBL3912256 0.89 PRKD3 (0.64) PRKD3PRKD1PRKD2HRH4ALDH1A1
SCHEMBL4517484 0.88 PRKD3 (0.53) PRKD3PRKD1PRKD2HRH4PRKCI
SCHEMBL4517488 0.88 PRKD3 (0.53) PRKD3PRKD1PRKD2HRH4PRKCI
SCHEMBL4517494 0.88 PRKD3 (0.53) PRKD3PRKD1PRKD2HRH4PRKCI
SCHEMBL4502119 0.84 PRKD3 (0.59) PRKD3PRKD1PRKD2HRH4PRKCI
SCHEMBL4520461 0.84 PRKD3 (0.59) PRKD3PRKD1PRKD2HRH4ALDH1A1

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.

Send feedback