SCHEMBL8065481

SCHEMBL8065481

CC(=N)c1ccc(O)c(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.50
HSD17B10 Q99714 5/20 0.50
ALOX15 P16050 5/20 0.50
GAA P10253 8/20 0.45
MAPT P10636 5/20 0.45
ALOX12 P18054 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RECQL P46063 2/20 0.45
HTT P42858 2/20 0.45
PKM P14618 2/20 0.45
HIF1A Q16665 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL4879412 0.80 PRSS1 (0.53) LMNAPRSS1
SCHEMBL13927324 0.79 CA12 (0.50) ALDH1A1HSD17B10ALOX15GAAMAPT
Hydrochloric Acid SCHEMBL4873602 0.78 PRSS1 (0.55) PRSS1
SCHEMBL3287715 0.78 PRKCI (0.58) ALDH1A1HSD17B10ALOX15GAAMAPT
SCHEMBL30527097 0.78 PRKCI (0.58) ALDH1A1HSD17B10ALOX15GAAMAPT
SCHEMBL13104059 0.78 ALDH1A1 (0.50) ALDH1A1HSD17B10ALOX15GAAMAPT
SCHEMBL13471232 0.74 ALOX15 (0.48) ALDH1A1ALOX15MAPTALOX12HTT
SCHEMBL7330212 0.74 PRSS1 (0.49) ALDH1A1HSD17B10GAAMAPTCA12
SCHEMBL23005771 0.73 ALDH1A1 (0.48) ALDH1A1HSD17B10ALOX15GAAMAPT
SCHEMBL30786420 0.73 ALDH1A1 (0.53) ALDH1A1HSD17B10ALOX15GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426443-B2 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2013-04-23 US disclosed
US-20120316196-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine GLAXO GROUP LIMITED (GB) 2012-12-13 US disclosed
US-8299257-B2 Compounds which have activity at M1receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2012-10-30 US disclosed
US-20100210687-A1 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2010-08-19 US disclosed
US-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine Glaxo Group Limited a corporation 2010-08-12 US disclosed
WO-2009037296-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-26 WO disclosed
WO-2009037294-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-26 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 (3 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-20100210687-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 ALDH1A1 1041/4885HSD17B10 3770/4885ALOX15 2260/4885
US-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 ALDH1A1 1041/4885HSD17B10 3770/4885ALOX15 2260/4885
US-20120316196-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine CHRM1, CHRM2, CHRM5 ALDH1A1 1041/4885HSD17B10 3770/4885ALOX15 2260/4885

“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.