SCHEMBL1982011

SCHEMBL1982011

Cc1nc(N)nc2c1cc(-c1cnn(C)c1)c(=O)n2C1CCC(OCC(N)=O)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 1.00
AKT1 P31749 11/20 1.00
MTOR P42345 11/20 1.00

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
SCHEMBL1983280 1.00 PIK3CA (1.00) PIK3CAAKT1MTOR
SCHEMBL1984165 1.00 PIK3CA (1.00) PIK3CAAKT1MTOR
SCHEMBL1983862 0.90 PIK3CA (1.00) PIK3CAAKT1MTOR
SCHEMBL1983863 0.90 PIK3CA (1.00) PIK3CAAKT1MTOR
SCHEMBL1381343 0.86 PIK3CA (1.00) PIK3CAAKT1MTOR
SCHEMBL1381761 0.86 PIK3CA (1.00) PIK3CAAKT1MTOR
SCHEMBL1381337 0.86 PIK3CA (1.00) PIK3CAAKT1MTOR
SCHEMBL1382134 0.85 PIK3CA (1.00) PIK3CAAKT1MTOR
SCHEMBL1382139 0.85 PIK3CA (1.00) PIK3CAAKT1MTOR
SCHEMBL1383416 0.85 PIK3CA (1.00) PIK3CAAKT1MTOR

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-2074122-B9 PYRIDO (2, 3-D) PYRIMIDIN0NE COMPOUNDS AND THEIR USE AS PI3 INHIBITORS PFIZER PROD INC (US) 2013-09-11 EP claimed
EP-2074122-B1 PYRIDO (2, 3-D) PYRIMIDIN0NE COMPOUNDS AND THEIR USE AS PI3 INHIBITORS PFIZER PROD INC (US) 2011-06-29 EP claimed
US-20100137279-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC. (US) 2010-06-03 US claimed
US-7696213-B2 4-methylpyridopyrimidinone compounds PFIZER INC (US) 2010-04-13 US claimed
US-20080090801-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC. 2008-04-17 US claimed
US-8633204-B2 4-methylpyridopyrimidinone compounds PFIZER INC. (US) 2014-01-21 US disclosed
EP-2074122-B9 PYRIDO (2, 3-D) PYRIMIDIN0NE COMPOUNDS AND THEIR USE AS PI3 INHIBITORS PFIZER PROD INC (US) 2013-09-11 EP disclosed
US-20120309775-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC (US) 2012-12-06 US disclosed
US-8273755-B2 4-methylpyridopyrimidinone compounds PFIZER INC (US) 2012-09-25 US disclosed
EP-2074122-B1 PYRIDO (2, 3-D) PYRIMIDIN0NE COMPOUNDS AND THEIR USE AS PI3 INHIBITORS PFIZER PROD INC (US) 2011-06-29 EP disclosed
US-20100137279-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC. (US) 2010-06-03 US disclosed
US-7696213-B2 4-methylpyridopyrimidinone compounds PFIZER INC (US) 2010-04-13 US disclosed
EP-2074122-A1 PYRIDO (2, 3-D) PYRIMIDIN0NE COMPOUNDS AND THEIR USE AS PI3 INHIBITORS Pfizer Products Incorporated (US) 2009-07-01 EP disclosed
US-20080090801-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
WO-2008032162-A1 PYRIDO (2, 3-D) PYRIMIDIN0NE COMPOUNDS AND THEIR USE AS PI3 INHIBITORS PFIZER PRODUCTS INC. (US) 2008-03-20 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-20080090801-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PI4KA, PI4KB, PIK3CA PIK3CA 3/4885AKT1 23/4885MTOR 31/4885
US-20120309775-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PI4KA, PI4KB, PIK3CA PIK3CA 3/4885AKT1 23/4885MTOR 31/4885
US-20100137279-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PI4KA, PI4KB, PIK3CA PIK3CA 3/4885AKT1 23/4885MTOR 31/4885

“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.