SCHEMBL465818

SCHEMBL465818

CC1(C)OCC(COc2cncc(N)n2)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.43
MAPK14 Q16539 6/20 0.36
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
F2RL3 Q96RI0 1/20 0.33
JAK2 O60674 2/20 0.33
NTRK1 P04629 2/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL14896717 1.00 CA2 (0.43) CA2MAPK14CCNKCDK12KCNJ5
SCHEMBL14896611 1.00 CA2 (0.43) CA2MAPK14CCNKCDK12KCNJ5
SCHEMBL17777001 0.87 CA2 (0.35) CA2MAPK14ALDH1A1NPSR1KDM4E
SCHEMBL20356724 0.82 KCNJ5 (0.39) CA2MAPK14CCNKCDK12KCNJ5
SCHEMBL1817279 0.82 CA2 (0.43) CA2MAPK14CCNKCDK12KCNJ5
SCHEMBL1817280 0.82 CA2 (0.43) CA2MAPK14CCNKCDK12KCNJ5
SCHEMBL30918574 0.82 CA2 (0.43) CA2MAPK14CCNKCDK12KCNJ5
SCHEMBL9981632 0.82 CA2 (0.43) CA2MAPK14CCNKCDK12KCNJ5
SCHEMBL14881634 0.81 CA2 (0.44) CA2MAPK14CCNKCDK12KCNJ5
SCHEMBL17768202 0.81 CA2 (0.44) CA2MAPK14CCNKCDK12KCNJ5

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 EP disclosed
CN-107207509-B Substituted bridged ring urea analogs as sirtuin modulators 葛兰素史密斯克莱知识产权(第2 号)有限公司 2020-04-21 CN disclosed
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 US disclosed
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 US disclosed
EP-2997029-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2019-01-09 EP disclosed
US-20180319810-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2018-11-08 US disclosed
US-10072011-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2018-09-11 US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 US disclosed
US-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2012-10-04 US disclosed
EP-2493888-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2012-09-05 EP disclosed
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-12-15 US disclosed
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-12-15 US disclosed
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-12-15 US disclosed
EP-2344475-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-07-20 EP disclosed
WO-2011059839-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-05-19 WO disclosed
WO-2011059839-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-05-19 WO disclosed
WO-2010037129-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS INC. (US) 2010-04-01 WO disclosed
WO-2010037129-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS INC. (US) 2010-04-01 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 (7 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-10072011-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CA2 4152/4885MAPK14 1363/4885CCNK 1012/4885
US-20180319810-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CA2 4152/4885MAPK14 1363/4885CCNK 1012/4885
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CA2 4152/4885MAPK14 1363/4885CCNK 1012/4885
US-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CA2 4329/4885MAPK14 960/4885CCNK 1792/4885
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 CA2 4508/4885MAPK14 1492/4885CCNK 1596/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CA2 4513/4885MAPK14 1641/4885CCNK 919/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CA2 4253/4885MAPK14 2116/4885CCNK 1153/4885

“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.