SCHEMBL4501850

SCHEMBL4501850

CC(C)C[C@H](N)CNc1ccnc(-c2cc(-c3ccc(C(N)=O)cc3)ccc2O)n1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRKD3 O94806 2/20 0.57
▸ PRKD1 Q15139 2/20 0.57
▸ PRKD2 Q9BZL6 2/20 0.57
▸ AAK1 Q2M2I8 8/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.38
▸ MKNK2 Q9HBH9 1/20 0.38
▸ SYK P43405 2/20 0.38
▸ MAP4K4 O95819 1/20 0.37
▸ CYP3A4 P08684 6/20 0.37
▸ CIT O14578 1/20 0.37
▸ CHEK1 O14757 1/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ TTK P33981 1/20 0.36
▸ MYC P01106 1/20 0.35

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
SCHEMBL4501837 1.00 PRKD3 (0.57) PRKD3PRKD1PRKD2AAK1MKNK1
SCHEMBL4501859 1.00 PRKD3 (0.57) PRKD3PRKD1PRKD2AAK1MKNK1
SCHEMBL4520461 0.89 PRKD3 (0.59) PRKD3PRKD1PRKD2AAK1CYP3A4
SCHEMBL4520464 0.89 PRKD3 (0.59) PRKD3PRKD1PRKD2AAK1CYP3A4
SCHEMBL4502127 0.89 PRKD3 (0.59) PRKD3PRKD1PRKD2AAK1CYP3A4
SCHEMBL4502113 0.89 PRKD3 (0.59) PRKD3PRKD1PRKD2AAK1CYP3A4
SCHEMBL4502119 0.89 PRKD3 (0.59) PRKD3PRKD1PRKD2AAK1CYP3A4
SCHEMBL4520466 0.89 PRKD3 (0.59) PRKD3PRKD1PRKD2AAK1CYP3A4
SCHEMBL8230957 0.88 PRKD3 (0.48) PRKD3PRKD1PRKD2AAK1MKNK1
SCHEMBL4517488 0.83 PRKD3 (0.53) PRKD3PRKD1PRKD2SYKCYP3A4

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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