SCHEMBL2522688

SCHEMBL2522688

CC(C)N(CC(C(=O)NN)c1ccc(Cl)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.37
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 2/20 0.35
PMP22 Q01453 1/20 0.35
NLRP3 Q96P20 1/20 0.35
FFAR2 O15552 2/20 0.35
AHCY P23526 1/20 0.34
KCNQ2 O43526 1/20 0.34
POLB P06746 1/20 0.34
OGG1 O15527 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL191358 0.86 L3MBTL1 (0.49) L3MBTL1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL30571417 0.85 POLB (0.45) L3MBTL1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL16719281 0.85 POLB (0.45) L3MBTL1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL191131 0.85 POLB (0.45) L3MBTL1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL191130 0.85 POLB (0.45) L3MBTL1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL16719299 0.84 POLB (0.44) L3MBTL1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL16719301 0.84 POLB (0.44) L3MBTL1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL16719300 0.83 L3MBTL1 (0.36) L3MBTL1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL21485111 0.83 L3MBTL1 (0.36) L3MBTL1CYP3A4CYP1A2CYP2D6CYP2C9
Potassium Ion SCHEMBL191177 0.83 L3MBTL1 (0.36) L3MBTL1CYP3A4CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328091-B2 5H-cyclopenta[d]pyrimidines as AKT protein kinase inhibitors GENENTECH, INC. (US) 2016-05-03 US disclosed
US-20150266852-A1 5H-CYCLOPENTA[d]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. 2015-09-24 US disclosed
US-8895566-B2 5H-cyclopenta[d]pyrimidines as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2014-11-25 US disclosed
EP-2250155-B1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2013-07-03 EP disclosed
US-20130085135-A1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2013-04-04 US disclosed
US-8329709-B2 5H-cyclopenta[D]pyrimidines as AKT protein kinase inhibitors GENENTECH, INC. (US) 2012-12-11 US disclosed
US-20110251181-A1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2011-10-13 US disclosed
EP-2250155-A1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-11-17 EP disclosed
WO-2009089462-A1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 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-20150266852-A1 5H-CYCLOPENTA[d]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT3, AKT2 L3MBTL1 2493/4885CYP3A4 3559/4885CYP1A2 3104/4885
US-20130085135-A1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT3, AKT2 L3MBTL1 2493/4885CYP3A4 3559/4885CYP1A2 3104/4885
US-20110251181-A1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS AKT3, PIK3CA, AKT2 L3MBTL1 2607/4885CYP3A4 3693/4885CYP1A2 3294/4885

“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.