SCHEMBL2976296

SCHEMBL2976296

Cc1ccc(C)n1-c1ccccc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 1.00
GAA P10253 5/20 1.00
MEN1 O00255 5/20 1.00
KMT2A Q03164 5/20 1.00
USP2 O75604 2/20 1.00
TP53 P04637 1/20 1.00
HTT P42858 1/20 1.00
ALDH1A1 P00352 5/20 0.55
MAPT P10636 5/20 0.55
MYC P01106 5/20 0.48
NR4A1 P22736 2/20 0.48
LMNA P02545 3/20 0.47
ALOX15 P16050 3/20 0.47
CASP1 P29466 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
THRB P10828 1/20 0.47
ADRA2C P18825 1/20 0.45
KEAP1 Q14145 1/20 0.43
CYP3A4 P08684 3/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL10551467 0.77 GAA (0.63) KDM4EGAAMEN1KMT2AUSP2
SCHEMBL13170405 0.75 KDM4E (0.60) KDM4EGAAMEN1KMT2AUSP2
SCHEMBL11785394 0.73 GAA (0.58) KDM4EGAAMEN1KMT2AUSP2
SCHEMBL15130109 0.73 CYP2C19 (0.59) KDM4EGAAMEN1KMT2AUSP2
SCHEMBL5030596 0.73 KDM4E (0.57) KDM4EGAAMEN1KMT2AUSP2
SCHEMBL2354485 0.71 KDM4E (0.56) KDM4EGAAMEN1KMT2AUSP2
SCHEMBL3982909 0.71 KDM4E (0.56) KDM4EGAAMEN1KMT2AUSP2
SCHEMBL13893345 0.71 KDM4E (0.56) KDM4EGAAMEN1KMT2AUSP2
SCHEMBL8360345 0.71 MAPT (1.00) KDM4EGAAMEN1KMT2AUSP2
SCHEMBL12030669 0.71 GAA (0.59) KDM4EGAAMEN1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024026364-A2 METHODS AND COMPOSITIONS FOR MULTIPLEXED SINGLE-CELL 3D SPATIAL GENE EXPRESSION ANALYSIS IN PLANT TISSUE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2024-02-01 WO disclosed
EP-3999843-A1 FLUORESCENT MEASUREMENT OF FILMING AMINES Hach Company (US) 2022-05-25 EP disclosed
WO-2022056171-A1 SARS-COV(-2) SPIKE GLYCOPROTEIN-BINDING DOMAINS AND POLYPEPTIDES COMPRISING THE SAME AND USE OF THE SAME BIGHAT BIOSCIENCES, INC. (US) 2022-03-17 WO disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP disclosed
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 EP disclosed
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-03 US disclosed
EP-2489659-A1 Modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2012-08-22 EP disclosed
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 US disclosed
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-03 US disclosed
US-20090246820-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2009-10-01 US disclosed
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-10 US disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 WO disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
US-6884801-B1 Imidazoline derivatives as alpha-1A adrenoceptor ligands SMITHKLINE BEECHAM CORPORATION (US) 2005-04-26 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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KDM4E 4262/4885GAA 454/4885MEN1 4698/4885
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 KDM4E 4262/4885GAA 454/4885MEN1 4698/4885
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KDM4E 4262/4885GAA 454/4885MEN1 4698/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 KDM4E 4262/4885GAA 454/4885MEN1 4698/4885
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KDM4E 4262/4885GAA 454/4885MEN1 4698/4885
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KDM4E 4262/4885GAA 454/4885MEN1 4698/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 KDM4E 4552/4885GAA 733/4885MEN1 4778/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 KDM4E 4649/4885GAA 650/4885MEN1 4791/4885

“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.