SCHEMBL1832761

SCHEMBL1832761

c1cn2cc(-c3cn[nH]c3)ccc2n1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.58
CYP1A2 P05177 2/20 0.44
METAP2 P50579 1/20 0.44
TGFBR1 P36897 4/20 0.44
KEAP1 Q14145 1/20 0.42
CHEK1 O14757 4/20 0.42
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42
NT5E P21589 1/20 0.41
MAP3K5 Q99683 1/20 0.41
PIK3CA P42336 1/20 0.41
CLK1 P49759 1/20 0.41
CLK2 P49760 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RET P07949 1/20 0.40
PDE4A P27815 1/20 0.40
PDE3A Q14432 1/20 0.40

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
SCHEMBL14826052 0.80 DYRK1A (0.85) DYRK1ACYP1A2METAP2TGFBR1KEAP1
SCHEMBL23162289 0.77 PIK3C3 (0.43) CHEK1AKT1AKT2PIK3CA
SCHEMBL27273901 0.76 DYRK1A (0.57) DYRK1ACYP1A2METAP2TGFBR1KEAP1
SCHEMBL15743300 0.75 DYRK1A (0.69) DYRK1ACYP1A2METAP2TGFBR1KEAP1
SCHEMBL2537202 0.74 SCN5A (0.52) TGFBR1CHEK1AKT1AKT2NT5E
SCHEMBL18584820 0.74 DYRK1A (1.00) DYRK1ACYP1A2TGFBR1KEAP1PIK3CA
SCHEMBL1576521 0.74 DYRK1A (0.73) DYRK1ACYP1A2TGFBR1KEAP1CHEK1
SCHEMBL16554996 0.73 DYRK1A (0.59) DYRK1ATGFBR1CHEK1AKT1AKT2
SCHEMBL13861989 0.73 MAP3K5 (0.48) DYRK1ACHEK1AKT1AKT2NT5E
SCHEMBL14320570 0.73 DYRK1A (0.71) DYRK1ACYP1A2TGFBR1KEAP1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10730842-B2 Small molecule inhibitors of DYRK1A and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2020-08-04 US disclosed
US-10730842-B2 Small molecule inhibitors of DYRK1A and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2020-08-04 US disclosed
EP-3344039-A1 SMALL MOLECULE INHIBITORS OF DYRK1A AND USES THEREOF Arizona Board of Regents on behalf of the University of Arizona (US) 2018-07-11 EP disclosed
WO-2017040993-A1 SMALL MOLECULE INHIBITORS OF DYRK1A AND USES THEREOF THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2017-03-09 WO disclosed
WO-2017040993-A1 SMALL MOLECULE INHIBITORS OF DYRK1A AND USES THEREOF THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2017-03-09 WO disclosed
US-20110257171-A1 NOVEL IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE IN PARTICULAR AS MET INHIBITORS SANOFI-AVENTIS (FR) 2011-10-20 US disclosed
EP-2318382-A1 NOVEL IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE IN PARTICULAR AS MET INHIBITORS Sanofi-Aventis (FR) 2011-05-11 EP disclosed
WO-2010007317-A1 NOVEL IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE IN PARTICULAR AS MET INHIBITORS SANOFI-AVENTIS (FR) 2010-01-21 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 (2 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-10730842-B2 Small molecule inhibitors of DYRK1A and uses thereof DYRK1A, DYRK2, DYRK1B DYRK1A 1/4885CYP1A2 4476/4885METAP2 3800/4885
US-20110257171-A1 NOVEL IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE IN PARTICULAR AS MET INHIBITORS MET, ALK, RET DYRK1A 777/4885CYP1A2 183/4885METAP2 414/4885

“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.