SCHEMBL4371633

SCHEMBL4371633

CCOC(=O)c1nc(NCC(c2ccccc2)c2ccccc2)c2ncn([C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)c2n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PRKAB2 O43741 1/20 0.52
PRKAG1 P54619 1/20 0.52
PRKAA2 P54646 1/20 0.52
PRKAA1 Q13131 1/20 0.52
PRKAG3 Q9UGI9 1/20 0.52
PRKAG2 Q9UGJ0 1/20 0.52
PRKAB1 Q9Y478 1/20 0.52
ACHE P22303 1/20 0.49
ADORA2A P29274 13/20 0.48
ADORA3 P0DMS8 4/20 0.48
ADORA2B P29275 4/20 0.48
ADORA1 P30542 4/20 0.48

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
SCHEMBL4380410 1.00 ALDH1A1 (0.54) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL4371767 0.95 ALDH1A1 (0.56) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL4371662 0.95 ALDH1A1 (0.56) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL6320944 0.88 ALDH1A1 (0.57) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL6320952 0.88 ALDH1A1 (0.57) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL8326734 0.88 ALDH1A1 (0.69) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL6320949 0.88 ALDH1A1 (0.57) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL5406154 0.86 ALDH1A1 (0.55) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL5406147 0.86 ALDH1A1 (0.55) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL5406159 0.86 ALDH1A1 (0.55) ALDH1A1LMNATP53MAPTTDP1

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 11 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
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
EP-1292604-A1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES Pfizer Limited (GB) 2003-03-19 EP disclosed
US-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PFIZER INC. 2002-05-16 US disclosed
WO-2001094368-A1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LIMITED (GB) 2001-12-13 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 (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 ALDH1A1 533/4885LMNA 744/4885TP53 2508/4885
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 ALDH1A1 385/4885LMNA 799/4885TP53 2816/4885
US-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A1 ALDH1A1 245/4885LMNA 859/4885TP53 3074/4885

“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.