SCHEMBL2256754

SCHEMBL2256754

Cc1ncc(N2CCN(C)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 6/20 0.52
MAPT P10636 4/20 0.52
HTR6 P50406 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MET P08581 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.44
HTR3A P46098 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BRD4 O60885 1/20 0.43

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
SCHEMBL30900326 0.76 SIRT6 (0.67) SIRT6MAPTHTR6ALDH1A1MAPK1
SCHEMBL1527190 0.76 SIRT6 (0.67) SIRT6MAPTHTR6ALDH1A1MAPK1
SCHEMBL30532598 0.75 SIRT6 (0.75) SIRT6MAPTHTR6ALDH1A1MAPK1
SCHEMBL27997682 0.75 SIRT6 (0.75) SIRT6MAPTHTR6ALDH1A1MAPK1
SCHEMBL12362451 0.75 HTR1A (0.45) ALDH1A1CYP1A2CYP2D6SMN1; SMN2
SCHEMBL14938605 0.73 MAPT (0.72) SIRT6MAPTHTR6ALDH1A1LMNA
SCHEMBL1981534 0.73 ALDH1A1 (0.74) SIRT6MAPTHTR6ALDH1A1MAPK1
SCHEMBL24073869 0.73 SIRT6 (0.60) SIRT6MAPTHTR6ALDH1A1MET
SCHEMBL27306274 0.73 HTR3A (0.50) MAPTMETMAPK1HTR3ASMN1; SMN2
SCHEMBL30912575 0.73 SIRT6 (0.59) SIRT6MAPTHTR6ALDH1A1MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373657-B1 5,7-DIHYDRO-6H-PYRIMIDO[5,4-D][1]BENZAZEPIN-6-THIONES AS PLK INHIBITORS MILLENNIUM PHARM INC (US) 2016-09-14 EP disclosed
EP-2373657-B1 5,7-DIHYDRO-6H-PYRIMIDO[5,4-D][1]BENZAZEPIN-6-THIONES AS PLK INHIBITORS MILLENNIUM PHARM INC (US) 2016-09-14 EP disclosed
US-20150175542-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 US disclosed
US-20150175542-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 US disclosed
US-20150175542-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 US disclosed
US-20140194410-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-20140194410-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-20140194410-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-8507667-B2 Thiolactams and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8507667-B2 Thiolactams and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20110257157-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-20 US disclosed
EP-2373657-A1 5, 7-DIHYDRO- 6H-PYRIMIDO Ý 5, 4-D¨Ý 1¨BENZAZEPIN-6-THIONES AS PLK INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-10-12 EP disclosed
US-7998952-B2 Thiolactams and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-16 US disclosed
US-7998952-B2 Thiolactams and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-16 US disclosed
US-7998952-B2 Thiolactams and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-16 US disclosed
US-20100179126-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-20100179126-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-20100179126-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
WO-2010065134-A1 5, 7-DIHYDRO- 6H-PYRIMIDO [ 5, 4-D] [ 1 ] BENZAZEPIN-6-THIONES AS PLK INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-10 WO disclosed
WO-2010065134-A1 5, 7-DIHYDRO- 6H-PYRIMIDO [ 5, 4-D] [ 1 ] BENZAZEPIN-6-THIONES AS PLK INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-10 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 (4 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-20100179126-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 SIRT6 1183/4885MAPT 4076/4885HTR6 921/4885
US-20110257157-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 SIRT6 1183/4885MAPT 4076/4885HTR6 921/4885
US-20150175542-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 SIRT6 1183/4885MAPT 4076/4885HTR6 921/4885
US-20140194410-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 SIRT6 1183/4885MAPT 4076/4885HTR6 921/4885

“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.