SCHEMBL4513002

SCHEMBL4513002

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 2/20 0.68
PRKD1 Q15139 2/20 0.68
PRKD2 Q9BZL6 2/20 0.68
TRPV3 Q8NET8 9/20 0.40
HPN P05981 1/20 0.38
CYP1A2 P05177 4/20 0.36
CYP3A4 P08684 3/20 0.36
CLK4 Q9HAZ1 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
AKT1 P31749 2/20 0.35
CDK2 P24941 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
GLA P06280 1/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
KDR P35968 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
SCHEMBL4512994 1.00 PRKD3 (0.68) PRKD3PRKD1PRKD2TRPV3HPN
SCHEMBL4513006 1.00 PRKD3 (0.68) PRKD3PRKD1PRKD2TRPV3HPN
SCHEMBL4509465 0.92 PRKD3 (0.65) PRKD3PRKD1PRKD2TRPV3CYP1A2
SCHEMBL4509467 0.92 PRKD3 (0.65) PRKD3PRKD1PRKD2TRPV3CYP1A2
SCHEMBL4509455 0.92 PRKD3 (0.65) PRKD3PRKD1PRKD2TRPV3CYP1A2
SCHEMBL4512523 0.90 PRKD3 (0.72) PRKD3PRKD1PRKD2CYP3A4CLK4
SCHEMBL4512516 0.90 PRKD3 (0.72) PRKD3PRKD1PRKD2CYP3A4CLK4
SCHEMBL4512527 0.90 PRKD3 (0.72) PRKD3PRKD1PRKD2CYP3A4CLK4
SCHEMBL4520964 0.89 PRKD3 (0.71) PRKD3PRKD1PRKD2HPNCYP1A2
SCHEMBL3986227 0.89 PRKD3 (0.71) PRKD3PRKD1PRKD2HPNCYP1A2

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.