Sugi Predict

Sugi Predict / Compounds / SCHEMBL2255705

SCHEMBL2255705

SCHEMBL2255705

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CHRNA7 P36544 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL12240368 0.84 SMN1; SMN2 (0.38) KDM4EGAAALDH1A1SMN1; SMN2CHRNB2
SCHEMBL25786904 0.74 HPGD (0.41) GAAALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL12362451 0.73 HTR1A (0.45) KDM4EALDH1A1SMN1; SMN2KCNH2POLB
SCHEMBL12217796 0.72 HRH3 (0.50) CHRNA7HRH3TAAR1
SCHEMBL13543766 0.72 CHRNA7 (0.44) PKMCHRNA7MAPTKCNH2POLB
SCHEMBL12362457 0.72 NPC1 (0.32) KDM4EALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL761929 0.71 SMN1; SMN2 (0.57) KDM4EALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL9687808 0.71 NOS1 (0.47) KDM4EALDH1A1SMN1; SMN2NPSR1MAPT
SCHEMBL2255769 0.70 CYP2A6 (0.42) PKMKDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL3934740 0.70 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2MAPTPOLB

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 26 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-8268992-B2 Thiolactams and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-09-18 — — US disclosed
US-20110257157-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-20 — — 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-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 PKM 146/4885KDM4E 1626/4885GAA 4603/4885
US-20110257157-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 PKM 146/4885KDM4E 1626/4885GAA 4603/4885
US-20150175542-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 PKM 146/4885KDM4E 1626/4885GAA 4603/4885
US-20140194410-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 PKM 146/4885KDM4E 1626/4885GAA 4603/4885

“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.