SCHEMBL4382438

SCHEMBL4382438

CCN(CC)Cc1ccc(CNC(=O)n2ccnc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 1/20 0.58
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
LIPG Q9Y5X9 1/20 0.41
HRH3 Q9Y5N1 3/20 0.39
LMNA P02545 1/20 0.39
BCHE P06276 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL10048209 0.83 KMT2A (0.50) LMNASMN1; SMN2
SCHEMBL4014682 0.83 MLLT1 (0.41) MLLT1LIPGLMNASMN1; SMN2
SCHEMBL6255257 0.82 SMN1; SMN2 (0.44) LIPGLMNASMN1; SMN2
SCHEMBL24000994 0.82 NAMPT (0.47) SMN1; SMN2
SCHEMBL19851470 0.81 SMN1; SMN2 (0.40) LMNASMN1; SMN2
SCHEMBL31737685 0.81 CYP11B1 (0.46) LMNASMN1; SMN2
SCHEMBL23455649 0.80 SMN1; SMN2 (0.54) LIPGBCHESMN1; SMN2
SCHEMBL9591695 0.80 RAB9A (0.51) SMN1; SMN2
SCHEMBL25173114 0.79 CYP19A1 (0.55) LMNASMN1; SMN2
SCHEMBL21340645 0.77 LMNA (0.42) LMNASMN1; SMN2

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 MLLT1 1600/4885HDAC8 4653/4885HDAC6 4180/4885
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 MLLT1 1389/4885HDAC8 4685/4885HDAC6 4178/4885

“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.