SCHEMBL4374960

SCHEMBL4374960

CC(C)N(CCNC(=O)NCCN)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
KDM5B Q9UGL1 1/20 0.34
EPHX1 P07099 7/20 0.33
TERT O14746 2/20 0.33
GABRR1 P24046 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PAOX Q6QHF9 2/20 0.31

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
Trifluoroacetic Acid SCHEMBL2883842 0.89 SIGMAR1 (0.36) SIGMAR1BCHEACHEKDM5BGABRR1
SCHEMBL1911254 0.81 KDM4E (0.40) SIGMAR1BCHEACHEKDM5BEPHX1
SCHEMBL7175314 0.81 SIGMAR1 (0.42) SIGMAR1BCHEACHEKDM5BEPHX1
SCHEMBL6560529 0.78 ACHE (0.42) SIGMAR1BCHEACHEKDM5BMEN1
SCHEMBL21529732 0.78 CYP2C9 (0.52) EPHX1MEN1KMT2AALDH1A1
SCHEMBL13298011 0.77 ACHE (0.44) SIGMAR1BCHEACHEKDM5BMEN1
SCHEMBL940021 0.76 ALDH1A1 (0.46) EPHX1TERTMEN1KMT2AALDH1A1
SCHEMBL25230992 0.75 SIGMAR1 (0.46) SIGMAR1BCHEACHEKDM5BMEN1
SCHEMBL5258395 0.75 KDM4E (0.46) SIGMAR1BCHEACHEKDM5BMEN1
SCHEMBL2883840 0.75 ALDH1A1 (0.46) SIGMAR1BCHEACHEKDM5BEPHX1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1292604-B1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LTD (GB) 2009-05-13 EP disclosed
EP-1292604-B1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LTD (GB) 2009-05-13 EP disclosed
US-7094769-B2 2-aminocarbonyl-9H-purine derivatives PFIZER INC (US) 2006-08-22 US disclosed
US-20060122145-A1 2-Aminocarbonyl-9H-purine derivatives PFIZER INC 2006-06-08 US disclosed
US-6753322-B2 2-aminocarbonyl-9H-purine derivatives PFIZER INC 2004-06-22 US disclosed
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PFIZER INC 2004-04-22 US disclosed
US-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PFIZER INC. 2002-05-16 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 (3 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-20060122145-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 SIGMAR1 3232/4885BCHE 1680/4885ACHE 2488/4885
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 SIGMAR1 2955/4885BCHE 1776/4885ACHE 2579/4885
US-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A1 SIGMAR1 2502/4885BCHE 1892/4885ACHE 2540/4885

“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.