SCHEMBL4377986

SCHEMBL4377986

CC(C)(C)OC(=O)NCCNC(=O)NC1CCN(c2ccccn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.55
EPHX1 P07099 1/20 0.55
CKS1B P61024 2/20 0.52
SKP1 P63208 2/20 0.52
SKP2 Q13309 2/20 0.52
ALDH1A1 P00352 2/20 0.47
DRD2 P14416 2/20 0.47
LMNA P02545 1/20 0.47
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
DRD3 P35462 1/20 0.44
SMO Q99835 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HMOX1 P09601 1/20 0.42
PDE10A Q9Y233 1/20 0.42

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
SCHEMBL649039 0.87 CKS1B (0.65) GPR119CKS1BSKP1SKP2ALDH1A1
SCHEMBL4417334 0.85 GPR119 (0.59) GPR119CKS1BSKP1SKP2ALDH1A1
SCHEMBL1908712 0.85 ALDH1A1 (0.53) GPR119CKS1BSKP1SKP2ALDH1A1
SCHEMBL359301 0.85 ALDH1A1 (0.53) GPR119ALDH1A1DRD2LMNACA12
SCHEMBL4371640 0.84 ALDH1A1 (0.54) ALDH1A1DRD2LMNACA12CA1
SCHEMBL4233864 0.82 ALDH1A1 (0.54) ALDH1A1DRD2LMNACA12CA1
SCHEMBL3156635 0.82 ALDH1A1 (0.54) ALDH1A1DRD2LMNACA12CA1
SCHEMBL239933 0.81 GPR119 (0.63) GPR119CKS1BSKP1SKP2ALDH1A1
SCHEMBL1908728 0.81 ALDH1A1 (0.51) GPR119CKS1BSKP1SKP2ALDH1A1
SCHEMBL1401964 0.81 GPR119 (0.58) GPR119CKS1BSKP1SKP2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6753322-B2 2-aminocarbonyl-9H-purine derivatives PFIZER INC 2004-06-22 US claimed
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PFIZER INC 2004-04-22 US claimed
US-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PFIZER INC. 2002-05-16 US claimed
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 GPR119 1455/4885EPHX1 1146/4885CKS1B 2735/4885
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 GPR119 1274/4885EPHX1 961/4885CKS1B 2459/4885
US-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A1 GPR119 1275/4885EPHX1 771/4885CKS1B 2285/4885

“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.