Sugi Predict

Sugi Predict / Compounds / SCHEMBL6511

SCHEMBL6511

SCHEMBL6511

CN(C)C(=O)N1CC[N]CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.50
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ GAA P10253 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TSHR P16473 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HTR1A P08908 1/20 0.34

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
SCHEMBL2919261 0.91 MAPT (0.44) MAPTKMT2AMEN1SMN1; SMN2GAA
SCHEMBL282864 0.84 — —
SCHEMBL1025318 0.79 — —
SCHEMBL880638 0.79 MAPT (0.54) MAPTKMT2AMEN1SMN1; SMN2GAA
SCHEMBL4612540 0.78 HTR1A (0.62) MAPTKMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL11035687 0.77 MAPT (0.52) MAPTKMT2AMEN1SMN1; SMN2GAA
SCHEMBL378130 0.77 MAPT (0.52) MAPTKMT2AMEN1SMN1; SMN2GAA
SCHEMBL2910048 0.76 MAPT (0.39) MAPTKMT2AMEN1SMN1; SMN2GAA
SCHEMBL13627883 0.75 MAPT (0.55) MAPTKMT2AMEN1SMN1; SMN2GAA
SCHEMBL6998058 0.75 HTR1A (0.59) MAPTKMT2AMEN1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 — — EP claimed
US-8653081-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-02-18 — — US claimed
US-20130296335-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. 2013-11-07 — — US claimed
US-8410108-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2013-04-02 — — US claimed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 — — US claimed
US-8003664-B2 Indazole-carboxamide compounds THERAVANCE, INC. (US) 2011-08-23 — — US claimed
WO-2011058111-A1 AMINOPURINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2011-05-19 — — WO claimed
US-7939534-B2 e.g. (2-{[2-(3-fluorophenyl)ethyl]amino}-6-piperidyl(3-pyridyl))-N-(3-pyridylmethyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, chronic obstructive pulmonary disease, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-05-10 — — US claimed
US-20100292223-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS THERAVANCE, INC. (US) 2010-11-18 — — US claimed
US-7786136-B2 Indazole-carboxamide compounds THERAVANCE, INC. (US) 2010-08-31 — — US claimed
US-20070208000-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-09-06 — — US claimed
US-20070197507-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 — — US claimed
WO-2007078815-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-07-12 — — WO claimed
WO-2007070626-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 — — WO claimed
WO-2006069125-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS THERAVANCE, INC. (US) 2006-06-29 — — WO claimed
US-20060135764-A1 Indazole-carboxamide compounds THERAVANCE, INC. 2006-06-22 — — US claimed
EP-0779888-B1 PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA (DE) 1999-04-28 — — EP claimed
US-5707989-A ANTITUMOR AGENTS, INHIBITING SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES DR. KARL THOMAE GMBH (DE) 1998-01-13 — — US claimed
EP-0779888-A1 PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1997-06-25 — — EP claimed
WO-1996007657-A1 PYRIMIDO[5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1996-03-14 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20130296335-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TNNI3, MYLK2, TNNT2 MAPT 969/4885KMT2A 3918/4885MEN1 4064/4885
US-20100292223-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS HTR4, HTR5A, HTR3B MAPT 2189/4885KMT2A 2426/4885MEN1 2636/4885
US-20070208000-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 MAPT 900/4885KMT2A 4052/4885MEN1 4319/4885
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD MAPT 3169/4885KMT2A 2120/4885MEN1 2197/4885
US-20060135764-A1 Indazole-carboxamide compounds HTR4, HTR5A, HTR3B MAPT 2189/4885KMT2A 2426/4885MEN1 2636/4885
US-20070197507-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 MAPT 900/4885KMT2A 4052/4885MEN1 4319/4885

“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.