SCHEMBL15701010

SCHEMBL15701010

CCOC(=O)Cn1ccc(N)cc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 3/20 0.44
PIN1 Q13526 1/20 0.44
PIN4 Q9Y237 1/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
TNF P01375 2/20 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
SCHEMBL2828598 0.84 ALDH1A1 (0.49) GSK3AGSK3BALDH1A1KDM4EPIN1
SCHEMBL18913971 0.83 GSK3A (0.46) GSK3AGSK3BALDH1A1KDM4EPIN1
SCHEMBL15919718 0.82 GSK3A (0.45) GSK3AGSK3BALDH1A1KDM4EPIN1
SCHEMBL13837758 0.82 GSK3A (0.45) GSK3AGSK3BALDH1A1KDM4EPIN1
SCHEMBL18602501 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EPIN1PIN4RAB9A
SCHEMBL13837878 0.79 GSK3A (0.43) GSK3AGSK3BALDH1A1KDM4EPIN1
SCHEMBL1666483 0.78 NTSR1 (0.52) ALDH1A1L3MBTL1TNFMAPT
SCHEMBL2873285 0.78 MCL1 (0.43) ALDH1A1KDM4EHSD17B10L3MBTL1SMN1; SMN2
SCHEMBL16888067 0.78 CA12 (0.43) GSK3AGSK3BALDH1A1KDM4EPIN1
SCHEMBL16888060 0.78 RAB9A (0.43) GSK3AGSK3BALDH1A1KDM4EPIN1

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
EP-2914592-B1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INT (DE) 2017-10-11 EP disclosed
US-9334249-B2 Inhibitors of cytomegalovirus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 US disclosed
US-9334249-B2 Inhibitors of cytomegalovirus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 US disclosed
US-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-08 US disclosed
US-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-08 US disclosed
WO-2014070979-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-08 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-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS CDKN1A, CCNA1, IFNAR1 GSK3A 550/4885GSK3B 720/4885ALDH1A1 2565/4885

“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.