SCHEMBL4370834

SCHEMBL4370834

CCNC(=O)[C@H]1O[C@@H](OC)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.34
▸ PGD P52209 1/20 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
SCHEMBL5408623 1.00 CA2 (0.39) CA2KMT2AALDH1A1MEN1MAPT
SCHEMBL6575029 0.87 CA2 (0.38) CA2KMT2AALDH1A1MEN1MAPT
SCHEMBL6574569 0.86 CA2 (0.36) CA2KMT2AALDH1A1MEN1MAPT
SCHEMBL6576759 0.84 CA2 (0.34) CA2KMT2AALDH1A1MEN1MAPT
SCHEMBL23499229 0.83 CA2 (0.39) CA2KMT2AALDH1A1MEN1MAPT
SCHEMBL23518792 0.83 CA2 (0.39) CA2KMT2AALDH1A1MEN1MAPT
SCHEMBL7213941 0.82 CA2 (0.43) CA2KMT2AALDH1A1MEN1MAPT
SCHEMBL23499267 0.81 CA2 (0.37) CA2KMT2AALDH1A1MEN1MAPT
SCHEMBL20091180 0.81 CA2 (0.41) CA2KMT2AALDH1A1MEN1MAPT
SCHEMBL30760678 0.80 MAPT (0.37) CA2KMT2AALDH1A1MEN1MAPT

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 15 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
US-7238676-B2 Purine derivatives PFIZER INC. (US) 2007-07-03 — — US disclosed
US-7238676-B2 Purine derivatives PFIZER INC. (US) 2007-07-03 — — US 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
EP-1255764-B1 PURINE DERIVATIVES PFIZER LTD (GB) 2006-05-10 — — EP disclosed
EP-1220862-B1 PURINE DERIVATIVES PFIZER LTD (GB) 2006-03-22 — — EP 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-6525032-B2 Agonists of human adenosine receptors useful as anti-inflammatory agents in treatment of diseases of respiratory tract; chemical intermediates PFIZER INC 2003-02-25 — — US disclosed
US-6448236-B1 FUNCTIONAL AGONISTS OF THE HUMAN ADENOSINE A2A RECEPTOR AND MAY BE USED AS, FOR EXAMPLE, ANTI-INFLAMMATORY AGENTS IN THE TREATMENT OF REPIRATORY DISEASES PFIZER INC 2002-09-10 — — US 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
US-20010020089-A1 Purine derivatives PFIZER INC. 2001-09-06 — — 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 (4 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-20010020089-A1 Purine derivatives ADORA2A, ADORA1, ADORA3 CA2 2581/4885KMT2A 4222/4885ALDH1A1 383/4885
US-20060122145-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 CA2 2747/4885KMT2A 2593/4885ALDH1A1 533/4885
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 CA2 2728/4885KMT2A 2578/4885ALDH1A1 385/4885
US-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A1 CA2 2796/4885KMT2A 3004/4885ALDH1A1 245/4885

“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.

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