SCHEMBL17778481

SCHEMBL17778481

CC(=O)Nc1cncc(OC(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.43
MAPK9 P45984 1/20 0.43
PIM1 P11309 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
BRAF P15056 3/20 0.39
CHEK1 O14757 1/20 0.39
PIK3CA P42336 1/20 0.37
RORC P51449 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37
CYP1A2 P05177 1/20 0.37
ACACB O00763 1/20 0.36
GRM5 P41594 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL17776544 0.88 MAPK8 (0.39) MAPK8MAPK9KDM4EHSP90AA1HSP90AB1
SCHEMBL19699558 0.86 CHEK1 (0.41) KDM4ECHEK1LPAR1LPAR3GRM5
SCHEMBL17778558 0.83 CHEK1 (0.40) CHEK1LPAR1LPAR3ACACBADORA3
SCHEMBL19736359 0.81 CYP1A2 (0.51) MAPK8KDM4EHSP90AA1HSP90AB1BRAF
SCHEMBL20733290 0.80 ACACB (0.36) MAPK8MAPK9PIM1KDM4EHSP90AA1
SCHEMBL4413746 0.78 KDM4E (0.53) MAPK8KDM4EHSP90AA1HSP90AB1BRAF
SCHEMBL19706551 0.77 MAPK8 (0.63) MAPK8MAPK9KDM4EHSP90AA1HSP90AB1
SCHEMBL19706526 0.75 MAPK8 (0.46) MAPK8KDM4EHSP90AA1HSP90AB1BRAF
SCHEMBL14021067 0.75 KDM4E (0.44) MAPK8MAPK9KDM4EHSP90AA1HSP90AB1
SCHEMBL4265933 0.74 ALDH1A1 (0.35) PIM1PIK3CALPAR1LPAR3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 US disclosed
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 WO disclosed
WO-2016079712-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 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 (2 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPK8 1686/4885MAPK9 1347/4885PIM1 2934/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPK8 1815/4885MAPK9 1414/4885PIM1 2623/4885

“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.