SCHEMBL4505230

SCHEMBL4505230

CC[C@@H](N)CN(C)c1ccnc(-c2cc(-c3cccc(-n4cccn4)c3)ccc2O)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRKD3 O94806 2/20 0.44
▸ PRKD1 Q15139 2/20 0.44
▸ PRKD2 Q9BZL6 2/20 0.44
▸ ERCC1 P07992 1/20 0.39
▸ ERCC4 Q92889 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.34
▸ METAP2 P50579 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TRPV3 Q8NET8 1/20 0.34
▸ TBK1 Q9UHD2 2/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ USP1 O94782 2/20 0.33
▸ SYK P43405 2/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ IKBKE Q14164 1/20 0.33
▸ MPO P05164 1/20 0.32
▸ TNIK Q9UKE5 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
SCHEMBL4505238 1.00 PRKD3 (0.44) PRKD3PRKD1PRKD2ERCC1ERCC4
SCHEMBL4505243 1.00 PRKD3 (0.44) PRKD3PRKD1PRKD2ERCC1ERCC4
SCHEMBL4520418 0.84 PRKD3 (0.51) PRKD3PRKD1PRKD2
SCHEMBL4520412 0.84 PRKD3 (0.51) PRKD3PRKD1PRKD2
SCHEMBL4520417 0.84 PRKD3 (0.51) PRKD3PRKD1PRKD2
SCHEMBL4508525 0.80 PRKD3 (0.67) PRKD3PRKD1PRKD2
SCHEMBL4508530 0.80 PRKD3 (0.67) PRKD3PRKD1PRKD2
SCHEMBL4508519 0.80 PRKD3 (0.67) PRKD3PRKD1PRKD2
SCHEMBL4514171 0.78 PRKD3 (0.45) PRKD3PRKD1PRKD2
SCHEMBL4514167 0.78 PRKD3 (0.45) PRKD3PRKD1PRKD2

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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