SCHEMBL13633548

SCHEMBL13633548

COc1ncc(-c2ccnc(N)c2)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.62
NOS3 P29474 2/20 0.52
NOS1 P29475 2/20 0.52
NOS2 P35228 2/20 0.52
FTO Q9C0B1 3/20 0.50
ALKBH5 Q6P6C2 1/20 0.50
PIK3CA P42336 2/20 0.44
PIM1 P11309 1/20 0.44
CDK9 P50750 1/20 0.44
DYRK2 Q92630 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
GSK3B P49841 1/20 0.43
AURKA O14965 1/20 0.42
TTK P33981 1/20 0.42
AURKB Q96GD4 1/20 0.42
INCENP Q9NQS7 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 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
SCHEMBL13633547 0.79 DYRK1A (0.63) DYRK1ANOS3NOS1NOS2PIK3CA
SCHEMBL4402187 0.78 DYRK1A (0.63) DYRK1ANOS3NOS1NOS2MKNK1
SCHEMBL30935767 0.78 DYRK1A (0.63) DYRK1ANOS3NOS1NOS2MKNK1
SCHEMBL24155609 0.77 MEN1 (0.54) DYRK1ANOS3NOS1NOS2MKNK1
Hydrochloric Acid SCHEMBL10461111 0.76 DYRK1A (0.61) DYRK1ANOS3NOS1NOS2MKNK1
SCHEMBL17155080 0.76 DYRK1A (0.51) DYRK1ANOS3NOS1NOS2MKNK1
SCHEMBL979785 0.75 MAP4K4 (0.65) FTOALKBH5MKNK1MKNK2MEN1
SCHEMBL31381034 0.75 DYRK1A (0.73) DYRK1ANOS3NOS1NOS2MKNK1
SCHEMBL4081141 0.75 DYRK1A (0.49) DYRK1ANOS3NOS1NOS2MKNK1
SCHEMBL13749604 0.75 MAP4K4 (0.60) DYRK1ANOS3NOS1NOS2MKNK1

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 6 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
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 4741/4885NOS3 2635/4885NOS1 2047/4885
US-20090275577-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS DPYD, TYMP, ITPA DYRK1A 4705/4885NOS3 2613/4885NOS1 2569/4885

“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.