SCHEMBL4520964

SCHEMBL4520964

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 2/20 0.71
PRKD1 Q15139 2/20 0.71
PRKD2 Q9BZL6 2/20 0.71
HRH3 Q9Y5N1 1/20 0.37
MAPK14 Q16539 4/20 0.37
CYP1A2 P05177 7/20 0.35
CYP3A4 P08684 7/20 0.35
CYP2C19 P33261 6/20 0.35
CYP2D6 P10635 6/20 0.35
ALDH1A1 P00352 2/20 0.35
USP2 O75604 4/20 0.35
TSHR P16473 3/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 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
SCHEMBL3986232 1.00 PRKD3 (0.71) PRKD3PRKD1PRKD2HRH3MAPK14
SCHEMBL3986227 1.00 PRKD3 (0.71) PRKD3PRKD1PRKD2HRH3MAPK14
SCHEMBL4511344 0.92 PRKD3 (0.74) PRKD3PRKD1PRKD2HRH3CYP1A2
SCHEMBL4511350 0.92 PRKD3 (0.74) PRKD3PRKD1PRKD2HRH3CYP1A2
SCHEMBL4511341 0.92 PRKD3 (0.74) PRKD3PRKD1PRKD2HRH3CYP1A2
SCHEMBL4505550 0.91 PRKD3 (0.64) PRKD3PRKD1PRKD2HRH3CYP1A2
SCHEMBL4505545 0.91 PRKD3 (0.64) PRKD3PRKD1PRKD2HRH3CYP1A2
SCHEMBL4505555 0.91 PRKD3 (0.64) PRKD3PRKD1PRKD2HRH3CYP1A2
SCHEMBL4516758 0.91 PRKD3 (0.68) PRKD3PRKD1PRKD2HRH3MAPK14
SCHEMBL4516756 0.91 PRKD3 (0.68) PRKD3PRKD1PRKD2HRH3MAPK14

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.