SCHEMBL12487500

SCHEMBL12487500

CN(C)CCCNc1nccc(N)n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM2 P50570 2/20 0.53
HRH3 Q9Y5N1 1/20 0.48
CCR4 P51679 1/20 0.46
MKNK1 Q9BUB5 1/20 0.44
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
SLC2A1 P11166 1/20 0.43
APOBEC3A P31941 1/20 0.43
RAD52 P43351 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
BRD4 O60885 1/20 0.43
ATAD2 Q6PL18 1/20 0.43
FERMT2 Q96AC1 1/20 0.43

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
SCHEMBL28899507 0.82 TLR8 (0.57) DNM2HRH3
SCHEMBL11480039 0.78 SCN9A (0.44) DNM2
SCHEMBL30268584 0.78 ALDH1A1 (0.58) DNM2NPC1POLBSLC2A1APOBEC3A
SCHEMBL19477221 0.78 DNM2 (0.80) DNM2HRH3CCR4
SCHEMBL19476566 0.78 DNM2 (0.80) DNM2HRH3CCR4
SCHEMBL7204411 0.76 CXCR4 (0.55) HRH3FERMT2
SCHEMBL1089304 0.76 CXCR4 (0.63) DNM2HRH3MKNK1
SCHEMBL1088558 0.75 CXCR4 (0.65) DNM2HRH3MKNK1
SCHEMBL1089501 0.75 CXCR4 (0.65) DNM2HRH3MKNK1
SCHEMBL11404764 0.74 PDPK1 (0.50)

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-8901119-B2 Peptide deformylase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2014-12-02 US disclosed
EP-2684039-A2 PEPTIDE DEFORMYLASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2014-01-15 EP disclosed
US-20130345120-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-12-26 US disclosed
WO-2012122450-A2 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-09-13 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-20130345120-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, PEPD, VIP DNM2 1699/4885HRH3 2507/4885CCR4 4438/4885

“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.