SCHEMBL3633138

SCHEMBL3633138

CC(C)(C)OC(=O)NCc1cc2ccccc2cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.54
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
DYRK1A Q13627 1/20 0.43
ACACB O00763 1/20 0.42
NAMPT P43490 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
BCHE P06276 1/20 0.42
NQO2 P16083 1/20 0.42
CPB2 Q96IY4 1/20 0.42
CYP1A2 P05177 1/20 0.41
GFER P55789 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
HDAC1 Q13547 1/20 0.40

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
SCHEMBL21744200 0.87 CYP3A4 (0.46) KDM4ACKS1BSKP1SKP2BCHE
SCHEMBL30069428 0.87 CYP3A4 (0.46) KDM4ACKS1BSKP1SKP2BCHE
SCHEMBL26143921 0.86 NAMPT (0.45) KDM4ADYRK1ANAMPTL3MBTL1CA12
SCHEMBL30097039 0.86 NAMPT (0.45) KDM4ADYRK1ANAMPTL3MBTL1CA12
SCHEMBL30097062 0.85 KDM4A (0.42) KDM4ADYRK1AL3MBTL1CA12CA1
SCHEMBL26143885 0.85 KDM4A (0.42) KDM4ADYRK1AL3MBTL1CA12CA1
SCHEMBL31401432 0.85 GAA (0.42) KDM4ADYRK1AL3MBTL1
Bromide SCHEMBL23706016 0.81 CA12 (0.42) KDM4ACKS1BSKP1SKP2NAMPT
SCHEMBL23706123 0.80 ACACB (0.47) KDM4ACKS1BSKP1SKP2DYRK1A
SCHEMBL7213842 0.80 L3MBTL1 (0.44) KDM4ADYRK1AL3MBTL1BCHECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155751-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2010-02-24 EP disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 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 (1 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-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 KDM4A 3506/4885CKS1B 2551/4885SKP1 3307/4885

“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.