SCHEMBL4081141

SCHEMBL4081141

CN(C)c1ncc(-c2ccnc(N)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.49
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
NOS3 P29474 3/20 0.42
NOS1 P29475 3/20 0.42
NOS2 P35228 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PDPK1 O15530 1/20 0.41
DHFR P00374 1/20 0.40
MAPT P10636 1/20 0.40
KHK P50053 2/20 0.38
AAK1 Q2M2I8 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
APP P05067 1/20 0.37
CDC7 O00311 1/20 0.36
GRM5 P41594 2/20 0.36

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
SCHEMBL30935767 0.78 DYRK1A (0.63) DYRK1AMKNK1MKNK2NOS3NOS1
SCHEMBL4402187 0.78 DYRK1A (0.63) DYRK1AMKNK1MKNK2NOS3NOS1
Hydrochloric Acid SCHEMBL10461111 0.76 DYRK1A (0.61) DYRK1AMKNK1MKNK2NOS3NOS1
SCHEMBL17155080 0.76 DYRK1A (0.51) DYRK1AMKNK1MKNK2NOS3NOS1
SCHEMBL13749604 0.75 MAP4K4 (0.60) DYRK1AMKNK1MKNK2NOS3NOS1
SCHEMBL13633548 0.75 DYRK1A (0.62) DYRK1AMKNK1MKNK2NOS3NOS1
SCHEMBL2643560 0.75 MAP4K4 (0.65) MKNK1MKNK2MEN1DHFR
SCHEMBL10917380 0.75 MAPT (0.54) DYRK1AKDM4EMAPTAPPGRM5
SCHEMBL30337203 0.74 DYRK1A (0.70) DYRK1AMKNK1MKNK2NOS3NOS1
SCHEMBL4619570 0.73 MAP4K4 (0.58) DYRK1AMKNK1MKNK2NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275577-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS PFIZER INC 2009-11-05 US disclosed
US-20090275577-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS PFIZER INC 2009-11-05 US disclosed
EP-1737459-B1 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2009-08-05 EP disclosed
US-7563788-B2 Substituted Imidazo[1,2-a]pyridines as Antibacterial Agents PFIZER INC. (US) 2009-07-21 US disclosed
US-7563788-B2 Substituted Imidazo[1,2-a]pyridines as Antibacterial Agents PFIZER INC. (US) 2009-07-21 US disclosed
US-20070191394-A1 Antibacterial agents WARNER-LAMBERT COMPANY LLC 2007-08-16 US disclosed
US-20070191394-A1 Antibacterial agents WARNER-LAMBERT COMPANY LLC 2007-08-16 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 (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-20070191394-A1 Antibacterial agents MRPL21, RPN2, FBL DYRK1A 4741/4885MKNK1 2780/4885MKNK2 2662/4885
US-20090275577-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS DPYD, TYMP, ITPA DYRK1A 4705/4885MKNK1 2093/4885MKNK2 2022/4885

“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.