SCHEMBL4373669

SCHEMBL4373669

NCCNC(=O)NCCN1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.54
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA9 Q16790 3/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
POLB P06746 2/20 0.54
NPC1 O15118 1/20 0.50
CNR1 P21554 1/20 0.49
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL3893911 0.90 CA12 (0.63) CA12CA1CA2CA9MEN1
SCHEMBL25477811 0.83 KDM4E (0.59) CA12CA1CA2CA9MEN1
SCHEMBL20356557 0.82 LMNA (0.54) CA12CA1CA2CA9KMT2A
SCHEMBL14559556 0.81 ALDH1A1 (0.55) CA12CA1CA2CA9MEN1
SCHEMBL25477809 0.81 KDM4E (0.56) CA12CA1CA2CA9MEN1
SCHEMBL25480252 0.80 KDM4E (0.52) CA12CA1CA2CA9MEN1
SCHEMBL24269957 0.79 CA12 (0.56) CA12CA1CA2CA9MEN1
SCHEMBL2755851 0.79 CA12 (0.59) CA12CA1CA2CA9MEN1
SCHEMBL3896010 0.79 EPHX1 (0.54) CA12CA1CA2CA9MEN1
SCHEMBL13881924 0.78 CARM1 (0.61) CA12CA1CA2CA9MEN1

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 6 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 CA12 3528/4885CA1 3399/4885CA2 2747/4885
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 CA12 3588/4885CA1 3380/4885CA2 2728/4885

“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.