SCHEMBL1687176

SCHEMBL1687176

CCOC(=O)c1ncnc(N)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
CYP1A2 P05177 2/20 0.45
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAOA P21397 1/20 0.43
CDC7 O00311 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RECQL P46063 1/20 0.41
CHEK2 O96017 1/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL13472446 0.83 MAPT (0.43) ALDH1A1CYP1A2KDM4EHPGDHSD17B10
SCHEMBL28855951 0.83 ALDH1A1 (0.43) ALDH1A1CYP1A2KDM4EHPGDHSD17B10
SCHEMBL13472458 0.83 ALDH1A1 (0.43) ALDH1A1CYP1A2KDM4EHPGDHSD17B10
SCHEMBL12590801 0.81 CYP1A2 (0.42) ALDH1A1CYP1A2KDM4EHPGDHSD17B10
SCHEMBL28936237 0.80 ALDH1A1 (0.53) ALDH1A1CYP1A2KDM4EHPGDHSD17B10
SCHEMBL13472476 0.80 KDM4E (0.47) ALDH1A1CYP1A2KDM4EHPGDHSD17B10
SCHEMBL5226806 0.78 ALDH1A1 (0.44) ALDH1A1CYP1A2KDM4EHPGDHSD17B10
SCHEMBL20187440 0.76 KDM4E (0.51) ALDH1A1CYP1A2KDM4EHPGDHSD17B10
SCHEMBL2843820 0.75 ALDH1A1 (0.59) ALDH1A1CYP1A2KDM4EHPGDHSD17B10
SCHEMBL29642902 0.75 RAB9A (0.55) ALDH1A1CYP1A2KDM4ELMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3362100-B1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2022-06-22 EP disclosed
US-10729738-B2 Hindered disulfide drug conjugates GENENTECH, INC. (US) 2020-08-04 US disclosed
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2017-04-27 US disclosed
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2017-04-27 US disclosed
WO-2017064675-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH, INC. (US) 2017-04-20 WO disclosed
US-9346799-B2 Useful combinations of monobactam antibiotics with beta-lactamase inhibitors BASILEA PHARMACEUTICALS AG (CH) 2016-05-24 US disclosed
US-20160122320-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2016-05-05 US disclosed
US-20150031662-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2015-01-29 US disclosed
US-8901293-B2 Useful combinations of monobactam antibiotics with beta-lactamase inhibitors BASILEA PHARMACEUTICA AG (CH) 2014-12-02 US disclosed
EP-2308874-B1 Bridged monobactams useful as beta-lactamase inhibitors BASILEA PHARMACEUTICA AG (CH) 2013-01-23 EP disclosed
EP-2484680-A1 Useful Combinations of Monobactam Antibiotics with beta-Lac-tamase Inhibitors Basilea Pharmaceutica AG (CH) 2012-08-08 EP disclosed
EP-1965798-B1 USEFUL MONOBACTAM ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2011-10-19 EP disclosed
EP-2308874-A1 Useful beta-lactamase inhibitors Basilea Pharmaceutica AG (CH) 2011-04-13 EP disclosed
US-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors BASILEA PHARMACEUTICA AG (CH) 2010-03-04 US disclosed
WO-2009006389-A2 PYRIMIDINE DERIVATIVES USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2009-01-08 WO disclosed
EP-1965798-A2 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS Basilea Pharmaceutica AG (CH) 2008-09-10 EP disclosed
WO-2007065288-A2 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2007-06-14 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 (5 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-20150031662-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS MGAM, MGAM2, B2M ALDH1A1 2194/4885CYP1A2 624/4885KDM4E 1074/4885
US-20160122320-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS MGAM, MGAM2, B2M ALDH1A1 2194/4885CYP1A2 624/4885KDM4E 1074/4885
US-10729738-B2 Hindered disulfide drug conjugates STS, TST, SCLY ALDH1A1 143/4885CYP1A2 320/4885KDM4E 3411/4885
US-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors MGAM, MGAM2, B2M ALDH1A1 2423/4885CYP1A2 637/4885KDM4E 1140/4885
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES STS, TST, SCLY ALDH1A1 143/4885CYP1A2 320/4885KDM4E 3411/4885

“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.