SCHEMBL2260066

SCHEMBL2260066

Cc1nc(N2CCOCC2)ccc1NC(=N)N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.49
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
CCNT1 O60563 1/20 0.45
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
CDK9 P50750 1/20 0.45
CDK6 Q00534 1/20 0.45
CDK11A Q9UQ88 1/20 0.45
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 3/20 0.44
IRAK4 Q9NWZ3 1/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL2253849 0.87 UBE2T (0.43) GAAKDM4EALDH1A1CCNT1CDK4
SCHEMBL2256658 0.86 UBE2T (0.42) GAAKDM4EALDH1A1KMT2AMAPT
SCHEMBL2258135 0.85 UCHL3 (0.44) KDM4EALDH1A1CCNT1CDK4CCND1
SCHEMBL2257241 0.80 PARP1 (0.41) GAAKDM4EALDH1A1CCNT1CDK4
SCHEMBL4167261 0.75 MEN1 (0.49) GAAKDM4EALDH1A1KMT2AMAPT
SCHEMBL2485764 0.73 MAP4K4 (0.41)
SCHEMBL7679192 0.73 PIK3CD (0.47) GAAKDM4EALDH1A1CCNT1CDK4
SCHEMBL1912050 0.73 CRHBP (0.53) GAAKDM4EALDH1A1KMT2AMAPT
SCHEMBL17531163 0.73 ALDH1A1 (0.50) GAAKDM4EALDH1A1KMT2AMAPT
SCHEMBL20642000 0.72 KDM4E (0.55) GAAKDM4EALDH1A1CCNT1CDK4

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 32 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 GAA 4603/4885KDM4E 1626/4885ALDH1A1 433/4885
US-20110257157-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 GAA 4603/4885KDM4E 1626/4885ALDH1A1 433/4885
US-20150175542-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 GAA 4603/4885KDM4E 1626/4885ALDH1A1 433/4885
US-20140194410-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 GAA 4603/4885KDM4E 1626/4885ALDH1A1 433/4885

“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.