SCHEMBL10123873

SCHEMBL10123873

CC(C)(C)OC(=O)NCCNC(=O)c1cccc(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NQO2 P16083 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MALT1 Q9UDY8 1/20 0.43
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
TP53BP1 Q12888 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
CSNK1D P48730 1/20 0.42
PTGS1 P23219 1/20 0.42
BCHE P06276 1/20 0.42

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
SCHEMBL284764 0.90 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2NQO2L3MBTL1MALT1
SCHEMBL12325609 0.87 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2L3MBTL1TP53BP1
SCHEMBL20758236 0.86 CSNK1D (0.45) NQO2MALT1CA1CA2MEN1
SCHEMBL7145528 0.85 PRSS1 (0.48) ALDH1A1KDM4ESMN1; SMN2L3MBTL1TP53BP1
SCHEMBL5663889 0.85 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2NQO2L3MBTL1MALT1
SCHEMBL14679371 0.85 NPC1 (0.57) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL264483 0.85 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2NQO2L3MBTL1MALT1
SCHEMBL16152246 0.85 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2NQO2L3MBTL1ACACB
SCHEMBL10630944 0.84 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2L3MBTL1MEN1
SCHEMBL5663105 0.84 TP53BP1 (0.62) ALDH1A1SMN1; SMN2NQO2L3MBTL1MALT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
WO-2012021580-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2012-02-16 WO disclosed
WO-2011140442-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-11-10 WO disclosed
WO-2011123609-A1 IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-10-06 WO disclosed
WO-2011120025-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 WO disclosed
WO-2011120026-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 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-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 ALDH1A1 2301/4885KDM4E 1387/4885SMN1; SMN2 4325/4885

“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.