SCHEMBL4514490

SCHEMBL4514490

CC[C@H](N)CNc1ccnc(-c2cc(-c3cn[nH]c3)ccc2O)n1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 2/20 0.69
PRKD1 Q15139 2/20 0.69
PRKD2 Q9BZL6 2/20 0.69
ROCK2 O75116 15/20 0.40
ROCK1 Q13464 8/20 0.40
CHEK1 O14757 2/20 0.39
CHEK2 O96017 2/20 0.39
HRH3 Q9Y5N1 1/20 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
SCHEMBL4514498 1.00 PRKD3 (0.69) PRKD3PRKD1PRKD2ROCK2ROCK1
SCHEMBL4514481 1.00 PRKD3 (0.69) PRKD3PRKD1PRKD2ROCK2ROCK1
SCHEMBL4511914 0.86 PRKD3 (0.52) PRKD3PRKD1PRKD2ROCK2CHEK1
SCHEMBL4511930 0.86 PRKD3 (0.52) PRKD3PRKD1PRKD2ROCK2CHEK1
SCHEMBL4511925 0.86 PRKD3 (0.52) PRKD3PRKD1PRKD2ROCK2CHEK1
SCHEMBL4511350 0.86 PRKD3 (0.74) PRKD3PRKD1PRKD2HRH3
SCHEMBL4511341 0.86 PRKD3 (0.74) PRKD3PRKD1PRKD2HRH3
SCHEMBL4511344 0.86 PRKD3 (0.74) PRKD3PRKD1PRKD2HRH3
SCHEMBL4508051 0.85 PRKD3 (0.73) PRKD3PRKD1PRKD2HRH3
SCHEMBL4508068 0.85 PRKD3 (0.73) PRKD3PRKD1PRKD2HRH3

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.