SCHEMBL681200

SCHEMBL681200

CC(C)C(=O)C(CNC(C)(C)C)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TRPA1 O75762 1/20 0.40
FFAR2 O15552 1/20 0.40
CNR2 P34972 2/20 0.39
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADRB2 P07550 3/20 0.38
ADRB1 P08588 2/20 0.38
CYP2D6 P10635 2/20 0.38
NFKB1 P19838 2/20 0.38
HIF1A Q16665 2/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL681029 1.00 KMT2A (0.42) KMT2AL3MBTL1POLBNPSR1TRPA1
SCHEMBL681025 1.00 KMT2A (0.42) KMT2AL3MBTL1POLBNPSR1TRPA1
SCHEMBL12168588 0.86 HPGD (0.40) CNR2SMN1; SMN2ADRB2ADRB1CYP2D6
SCHEMBL681469 0.85 MEN1 (0.41) KMT2APOLBMEN1RAB9ASMN1; SMN2
SCHEMBL681368 0.85 KMT2A (0.42) KMT2AL3MBTL1POLBNPSR1FFAR2
SCHEMBL681142 0.85 KMT2A (0.42) KMT2AL3MBTL1POLBNPSR1FFAR2
SCHEMBL681371 0.85 KMT2A (0.42) KMT2AL3MBTL1POLBNPSR1FFAR2
SCHEMBL684828 0.84 BRD4 (0.46) KMT2AL3MBTL1POLBNPSR1CNR2
SCHEMBL684381 0.84 BRD4 (0.46) KMT2AL3MBTL1POLBNPSR1CNR2
SCHEMBL684380 0.84 BRD4 (0.46) KMT2AL3MBTL1POLBNPSR1CNR2

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-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-06-21 US disclosed
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-06-21 US disclosed
US-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-08-18 US disclosed
US-9359340-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-07 US disclosed
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. 2016-06-02 US disclosed
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2014-11-27 US disclosed
US-8853199-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-10-07 US disclosed
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2012-09-13 US disclosed
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 US disclosed
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2008-02-28 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 (6 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-20160235754-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 KMT2A 1785/4885L3MBTL1 2443/4885POLB 672/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 KMT2A 1884/4885L3MBTL1 2493/4885POLB 613/4885
US-20140349997-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 KMT2A 1884/4885L3MBTL1 2493/4885POLB 613/4885
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 KMT2A 1884/4885L3MBTL1 2493/4885POLB 613/4885
US-20160152606-A9 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 KMT2A 1884/4885L3MBTL1 2493/4885POLB 613/4885
US-20120232055-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 KMT2A 1884/4885L3MBTL1 2493/4885POLB 613/4885

“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.