SCHEMBL1990791

SCHEMBL1990791

C#Cc1ccc2ncnn2c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 9/20 0.45
DYRK1A Q13627 1/20 0.44
SCN5A Q14524 1/20 0.41
TGFBR1 P36897 4/20 0.36
KDM1A O60341 1/20 0.34
PIK3CD O00329 1/20 0.32
HDAC8 Q9BY41 1/20 0.31
MAP4K4 O95819 1/20 0.31
PDE4B Q07343 1/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL6321194 0.83 DYRK1A (0.42) EGLN2DYRK1ASCN5ATGFBR1KDM1A
SCHEMBL6315893 0.75 DYRK1A (0.40) EGLN2DYRK1ASCN5ATGFBR1KDM1A
SCHEMBL6316118 0.75 GRM5 (0.44) EGLN2DYRK1ASCN5ATGFBR1
SCHEMBL1994499 0.71 PDE10A (0.39) EGLN2
SCHEMBL9903810 0.70 KIT (0.43) TGFBR1
SCHEMBL6316340 0.70 CA12 (0.41) EGLN2
SCHEMBL6322242 0.70 GRM5 (0.49) DYRK1ATGFBR1
SCHEMBL3326856 0.69 DYRK1A (0.47) DYRK1ASCN5ATGFBR1PIK3CDMAP4K4
SCHEMBL3326861 0.69 DYRK1A (0.47) EGLN2DYRK1ASCN5ATGFBR1PIK3CD
SCHEMBL18077230 0.69 SCN5A (0.47) EGLN2DYRK1ASCN5ATGFBR1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11124509-B2 Tri-substituted imidazoles for the inhibition of TGF beta and methods of treatment Clavius Pharmaceuticals, LLC. (US) 2021-09-21 US disclosed
US-20200239462-A1 TRI-SUBSTITUTED IMIDAZOLES FOR THE INHIBITION OF TGF BETA AND METHODS OF TREATMENT CLAVIUS PHARMACEUTICALS, LLC 2020-07-30 US disclosed
WO-2019005241-A1 TRI-SUBSTITUTED IMIDAZOLES FOR THE INHIBITION OF TGF BETA AND METHODS OF TREATMENT CLAVIUS PHARMACEUTICALS, LLC (US) 2019-01-03 WO disclosed
EP-2513102-B1 ETHYNYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-08-19 EP disclosed
US-8933094-B2 Ethynyl compounds useful for treatment of CNS disorder HOFFMANN-LA ROCHE INC. (US) 2015-01-13 US disclosed
US-20140073638-A1 ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDER HOFFMANN-LA ROCHE INC. (US) 2014-03-13 US disclosed
US-8586581-B2 Ethynyl compounds useful for treatment of CNS disorders Hoffmann-La Roche Inc (US) 2013-11-19 US disclosed
EP-2513102-A1 ETHYNYL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
US-20110152257-A1 ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDERS HOFFMANN-LA ROCHE, INC. 2011-06-23 US disclosed
WO-2011073172-A1 ETHYNYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed
US-20050014938-A1 Phenyl substituted triazoles and their use as selective inhibitors of akl5 kinase GASTER LARAMIE MARY (GB) 2005-01-20 US disclosed
US-20040220230-A1 Pyridinylimidazoles SMITHKLINE BEECHAM P.L.C. 2004-11-04 US disclosed
EP-1444227-A1 THIAZOLYL SUBSTITUTED TRIAZOLES AS ALK5 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-08-11 EP disclosed
US-20040152738-A1 Pyridyl-substituted triazoles as tgf inhibitors SMITHKLINE BEECHAM CORPORATION 2004-08-05 US disclosed
US-20030166633-A1 Pyridinylimidazoles SMITHKLINE BEECHAM P.L.C. (GB) 2003-09-04 US disclosed
EP-1335916-A1 PYRIDYL-SUBSTITUTED TRIAZOLES AS TGF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-08-20 EP disclosed
WO-2003042207-A1 THIAZOLYL SUBSTITUTED TRIAZOLES AS ALK5 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-05-22 WO disclosed
EP-1257543-A1 PYRIDINYLIMIDAZOLES SMITHKLINE BEECHAM PLC (GB) 2002-11-20 EP disclosed
WO-2002040476-A1 PYRIDYL-SUBSTITUTED TRIAZOLES AS TGF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-05-23 WO disclosed
WO-2001062756-A1 PYRIDINYLIMIDAZOLES SMITHKLINE BEECHAM P.L.C. (GB) 2001-08-30 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 (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-20050014938-A1 Phenyl substituted triazoles and their use as selective inhibitors of akl5 kinase AKR1C3, CBR3, PHKG1 EGLN2 1981/4885DYRK1A 847/4885SCN5A 595/4885
US-20030166633-A1 Pyridinylimidazoles NR0B1, NR1I2, NR0B2 EGLN2 2548/4885DYRK1A 1633/4885SCN5A 805/4885
US-11124509-B2 Tri-substituted imidazoles for the inhibition of TGF beta and methods of treatment TGFB1, TGFBR1, TGFB2 EGLN2 543/4885DYRK1A 2769/4885SCN5A 2937/4885
US-20110152257-A1 ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDERS GRM5, GRIK5, GRM1 EGLN2 3685/4885DYRK1A 1777/4885SCN5A 115/4885
US-20040152738-A1 Pyridyl-substituted triazoles as tgf inhibitors TGFBR1, TGFBR2, SMAD3 EGLN2 1005/4885DYRK1A 3544/4885SCN5A 554/4885
US-20040220230-A1 Pyridinylimidazoles NR0B1, NR1I2, NR0B2 EGLN2 2618/4885DYRK1A 1644/4885SCN5A 839/4885
US-20200239462-A1 TRI-SUBSTITUTED IMIDAZOLES FOR THE INHIBITION OF TGF BETA AND METHODS OF TREATMENT TGFB1, TGFBR1, TGFB2 EGLN2 543/4885DYRK1A 2769/4885SCN5A 2937/4885
US-20140073638-A1 ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDER GRM5, GRIK5, GRM1 EGLN2 3731/4885DYRK1A 1846/4885SCN5A 125/4885

“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.