SCHEMBL3819701

SCHEMBL3819701

CC(C)CNC(=O)c1cccnc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.71
MEN1 O00255 3/20 0.71
THRB P10828 1/20 0.66
GAA P10253 2/20 0.63
HSD17B10 Q99714 1/20 0.63
EPHX2 P34913 3/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
TSHR P16473 1/20 0.55
TP53 P04637 1/20 0.55
LMNA P02545 2/20 0.54
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL8722504 0.89 KMT2A (0.69) KMT2AMEN1THRBGAAEPHX2
SCHEMBL28115750 0.89 KMT2A (0.69) KMT2AMEN1THRBGAAEPHX2
SCHEMBL3963197 0.88 KMT2A (0.68) KMT2AMEN1THRBGAAEPHX2
SCHEMBL10894686 0.88 KMT2A (0.68) KMT2AMEN1THRBGAAEPHX2
Nicaraven SCHEMBL31420006 0.86 KMT2A (0.66) KMT2AMEN1THRBHSD17B10EPHX2
SCHEMBL4418666 0.86 KMT2A (0.66) KMT2AMEN1THRBEPHX2CYP1A2
SCHEMBL5553293 0.86 KMT2A (0.66) KMT2AMEN1THRBGAAEPHX2
Nicaraven SCHEMBL677580 0.86 KMT2A (0.66) KMT2AMEN1THRBHSD17B10EPHX2
SCHEMBL10896470 0.85 KMT2A (0.64) KMT2AMEN1THRBGAAEPHX2
SCHEMBL4184029 0.84 EPHX2 (0.70) KMT2AMEN1THRBHSD17B10EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4021893-A1 PERK INHIBITING COMPOUNDS Hibercell, Inc. (US) 2022-07-06 EP claimed
WO-2021041973-A1 PERK INHIBITING COMPOUNDS HIBERCELL, INC. (US) 2021-03-04 WO claimed
US-20160206619-A1 INHIBITION OF ADAPTOR ASSOCIATED KINASE 1 FOR THE TREATMENT OF PAIN LANTHORN THOMAS HERBERT (US) 2016-07-21 US disclosed
EP-3041473-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2016-07-13 EP disclosed
US-20150183791-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2015-07-02 US disclosed
US-20150164899-A1 INHIBITION OF ADAPTOR ASSOCIATED KINASE 1 FOR THE TREATMENT OF PAIN LANTHORN THOMAS HERBERT (US) 2015-06-18 US disclosed
WO-2015035167-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2015-03-12 WO disclosed
EP-2822555-A2 INHIBITION OF ADAPTOR ASSOCIATED KINASE 1 FOR THE TREATMENT OF PAIN Lexicon Pharmaceuticals, Inc. (US) 2015-01-14 EP disclosed
US-20140080834-A1 INHIBITION OF ADAPTOR ASSOCIATED KINASE 1 FOR THE TREATMENT OF PAIN LEXICON PHARMACEUTICALS, INC. 2014-03-20 US disclosed
WO-2013131424-A1 4-QUINAZOLINE AMINE DERIVATIVE AND APPLICATION THEREOF 上海恒瑞医药有限公司 (CN) 2013-09-12 WO disclosed
WO-2013134336-A2 INHIBITION OF ADAPTOR ASSOCIATED KINASE 1 FOR THE TREATMENT OF PAIN LEXICON PHARMACEUTICALS, INC. (US) 2013-09-12 WO disclosed
US-7625906-B2 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2009-12-01 US disclosed
EP-2089018-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA Lexicon Pharmaceuticals, Inc. (US) 2009-08-19 EP disclosed
US-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC. (US) 2009-02-19 US disclosed
WO-2008067121-A2 METHODS OF TREATING COGNITIVE IMPAIRMENT AND DEMENTIA LEXICON PHARMACEUTICALS, INC. (US) 2008-06-05 WO disclosed
EP-1919482-A1 PYRROLOPYRIDINE, PYRROLOPYRIMIDINE AND PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2008-05-14 EP disclosed
US-20070082874-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICLAS, INC. (US) 2007-04-12 US disclosed
US-20070072844-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2007-03-29 US disclosed
WO-2007024789-A1 PYRROLOPYRIDINE, PYRROLOPYRIMIDINE AND PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON GENETICS INCORPORATED (US) 2007-03-01 WO disclosed
EP-0292990-A1 4-Halopyridine-3-carboxamide compounds and herbicidal composition thereof DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-30 EP 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 (7 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-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS3, NOS1, NOS2 KMT2A 4643/4885MEN1 4231/4885THRB 2755/4885
US-20070082874-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto CYP7A1, CYP27A1, CYP4F3 KMT2A 1483/4885MEN1 3205/4885THRB 856/4885
US-20150183791-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE IRAK2, IRAK1, GRB2 KMT2A 1740/4885MEN1 3736/4885THRB 1143/4885
US-20140080834-A1 INHIBITION OF ADAPTOR ASSOCIATED KINASE 1 FOR THE TREATMENT OF PAIN AAK1, NCK1, DAPK1 KMT2A 2514/4885MEN1 4708/4885THRB 3285/4885
US-20160206619-A1 INHIBITION OF ADAPTOR ASSOCIATED KINASE 1 FOR THE TREATMENT OF PAIN AAK1, NCK1, DAPK1 KMT2A 2514/4885MEN1 4708/4885THRB 3285/4885
US-20150164899-A1 INHIBITION OF ADAPTOR ASSOCIATED KINASE 1 FOR THE TREATMENT OF PAIN AAK1, NCK1, DAPK1 KMT2A 2514/4885MEN1 4708/4885THRB 3285/4885
US-20070072844-A1 Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto CYP7A1, CYP27A1, CYP4F3 KMT2A 1483/4885MEN1 3205/4885THRB 856/4885

“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.