SCHEMBL1154594

SCHEMBL1154594

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.47
LMNA P02545 3/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
HIF1A Q16665 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
ADRB2 P07550 1/20 0.44
BRD4 O60885 1/20 0.42
FFAR2 O15552 1/20 0.41
PGR P06401 1/20 0.41
CYP2A6 P11509 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPA1 O75762 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC5 Q9UQL6 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
SCHEMBL12791298 1.00 AOC3 (0.47) AOC3LMNATSHRMAPK1HIF1A
SCHEMBL12791285 1.00 AOC3 (0.47) AOC3LMNATSHRMAPK1HIF1A
SCHEMBL11526910 0.88 MAOA (0.44) AOC3LMNATSHRMAPK1HIF1A
SCHEMBL11738805 0.87 MAPK1 (0.50) LMNATSHRMAPK1TDP1MEN1
SCHEMBL12013617 0.84 MEN1 (0.48) AOC3LMNATSHRMAPK1HIF1A
SCHEMBL13232164 0.83 PGR (0.42) AOC3LMNAMAPK1HIF1APGR
SCHEMBL31288705 0.82 LMNA (0.41) AOC3LMNATSHRMAPK1HIF1A
Hydrochloric Acid SCHEMBL31288671 0.80 TSHR (0.40) AOC3LMNATSHRMAPK1HIF1A
SCHEMBL76211 0.78 TSHR (0.58) AOC3LMNATSHRMAPK1HIF1A
SCHEMBL11834697 0.78 PGR (0.42) AOC3LMNATSHRHIF1ATDP1

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-3121176-A1 2,4-DIAMINOQUINAZOLINES FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY Families of Spinal Muscular Atrophy (US) 2017-01-25 EP disclosed
EP-1765810-B1 2,4-DIAMINOQUINAZOLINES FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2016-08-17 EP disclosed
EP-2514748-B1 2,4-diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2016-08-10 EP disclosed
US-20160152577-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2016-06-02 US disclosed
US-9346805-B2 Pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-05-24 US disclosed
US-9067897-B2 2,4-Diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2015-06-30 US disclosed
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-03-21 US disclosed
US-8324221-B2 Pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-12-04 US disclosed
EP-2514748-A1 2,4-diaminoquinazolines for spinal muscular atrophy Families of Spinal Muscular Atrophy (US) 2012-10-24 EP disclosed
US-20110112118-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2011-05-12 US disclosed
US-20110053959-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-03-03 US disclosed
US-7888366-B2 2,4-diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2011-02-15 US disclosed
EP-1765810-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY Decode Chemistry, Inc. (US) 2007-03-28 EP disclosed
WO-2005123724-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY DECODE CHEMISTRY, INC. (US) 2005-12-29 WO disclosed
US-20050288314-A1 2,4-diaminoquinazolines for spinal muscular atrophy DECODE CHEMISTRY, INC. (US) 2005-12-29 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 (5 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-20110112118-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy SMN1; SMN2, MUSK, MYO3B AOC3 1219/4885LMNA 523/4885TSHR 4649/4885
US-20160152577-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy SMN1; SMN2, MUSK, MYO3B AOC3 1219/4885LMNA 523/4885TSHR 4649/4885
US-20050288314-A1 2,4-diaminoquinazolines for spinal muscular atrophy SMN1; SMN2, MUSK, MYO3B AOC3 1219/4885LMNA 523/4885TSHR 4649/4885
US-20110053959-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, PIK3CA AOC3 4456/4885LMNA 2904/4885TSHR 3855/4885
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT1, AKT2 AOC3 4406/4885LMNA 3043/4885TSHR 3750/4885

“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.