SCHEMBL10061687

SCHEMBL10061687

CC(=O)NCCCC(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
MAPK1 P28482 1/20 0.58
HIF1A Q16665 1/20 0.58
PAOX Q6QHF9 3/20 0.48
ADRA1A P35348 1/20 0.47
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX1 P07099 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
F13A1 P00488 1/20 0.38
GLA P06280 1/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38

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
SCHEMBL13656080 0.91 KDM4E (0.67) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL13656078 0.91 KDM4E (0.67) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL50032 0.86 KDM4E (0.50) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL25076162 0.83 KDM4E (0.54) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL12341194 0.79 KDM4E (0.61) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL5620319 0.79 ALDH1A1 (0.44) KDM4EMAPK1HIF1AADRA1AALDH1A1
SCHEMBL18896201 0.78 MEN1 (0.64) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL14448361 0.77 ALDH1A1 (0.33) KDM4EMAPK1HIF1AALDH1A1SMN1; SMN2
SCHEMBL29700581 0.77 ALDH1A1 (0.43) KDM4EMAPK1HIF1APAOXALDH1A1
SCHEMBL12601508 0.77 KDM4E (0.58) KDM4EMAPK1HIF1APAOXADRA1A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190134037-A1 INHIBITION OF ADAPTOR ASSOCIATED KINASE 1 FOR THE TREATMENT OF PAIN LANTHORN THOMAS HERBERT (US) 2019-05-09 US disclosed
US-9663466-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 US disclosed
US-20170129896-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXION PHARMACEUTICALS INC (US) 2017-05-11 US disclosed
US-9403832-B2 Pyrazolo[1,5-a]pyrimidine-based compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2016-08-02 US disclosed
US-20160206619-A1 INHIBITION OF ADAPTOR ASSOCIATED KINASE 1 FOR THE TREATMENT OF PAIN LANTHORN THOMAS HERBERT (US) 2016-07-21 US disclosed
US-20150183792-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 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
US-8946415-B2 Pyrazolo[1,5-a]pyrimidine-based compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2015-02-03 US disclosed
US-20140080834-A1 INHIBITION OF ADAPTOR ASSOCIATED KINASE 1 FOR THE TREATMENT OF PAIN LEXICON PHARMACEUTICALS, INC. 2014-03-20 US disclosed
US-20130253194-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2013-09-26 US disclosed
US-8207179-B2 Substituted indolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-20090246481-A1 DISPERSION OF WATER-INSOLUBLE COLORANT, METHOD OF PRODUCING SUBSTANCE CONTAINING WATER-INSOLUBLE COLORANT, FINE PARTICLES OF WATER-INSOLUBLE COLORANT, DISPERSING AGENT FOR WATER-INSOLUBLE COLORANT, AND RECORDING LIQUID, INK SET, PRINTED ARTICLE, METHOD OF FORMING IMAGE AND IMAGE FORMING APPARATUS USING THE SAME FUJIFILM CORPORATION (JP) 2009-10-01 US 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 (8 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-20190134037-A1 INHIBITION OF ADAPTOR ASSOCIATED KINASE 1 FOR THE TREATMENT OF PAIN AAK1, NCK1, DAPK1 KDM4E 1674/4885MAPK1 586/4885HIF1A 1421/4885
US-20150183792-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE TPX2, MAP3K1, IRAK1 KDM4E 2400/4885MAPK1 281/4885HIF1A 1167/4885
US-20170129896-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE TPX2, MAP3K1, IRAK1 KDM4E 2400/4885MAPK1 281/4885HIF1A 1167/4885
US-20130253194-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE TPX2, MAP3K1, IRAK1 KDM4E 2400/4885MAPK1 281/4885HIF1A 1167/4885
US-20140080834-A1 INHIBITION OF ADAPTOR ASSOCIATED KINASE 1 FOR THE TREATMENT OF PAIN AAK1, NCK1, DAPK1 KDM4E 1674/4885MAPK1 586/4885HIF1A 1421/4885
US-20160206619-A1 INHIBITION OF ADAPTOR ASSOCIATED KINASE 1 FOR THE TREATMENT OF PAIN AAK1, NCK1, DAPK1 KDM4E 1674/4885MAPK1 586/4885HIF1A 1421/4885
US-20150164899-A1 INHIBITION OF ADAPTOR ASSOCIATED KINASE 1 FOR THE TREATMENT OF PAIN AAK1, NCK1, DAPK1 KDM4E 1674/4885MAPK1 586/4885HIF1A 1421/4885
US-20100222331-A1 NEW COMPOUNDS CCNA1, CCNY, MKI67 KDM4E 2464/4885MAPK1 492/4885HIF1A 374/4885

“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.