SCHEMBL13633547

SCHEMBL13633547

COc1ccc(-c2ccnc(N)c2)cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.63
PIK3CA P42336 3/20 0.54
PIK3CD O00329 1/20 0.54
PIP5K1C O60331 1/20 0.54
PIK3CB P42338 1/20 0.54
PI4KA P42356 1/20 0.54
PIK3CG P48736 1/20 0.54
PI4KB Q9UBF8 1/20 0.54
CYP2A6 P11509 2/20 0.53
HSD17B1 P14061 1/20 0.53
HSD17B2 P37059 1/20 0.53
MKNK1 Q9BUB5 2/20 0.50
MKNK2 Q9HBH9 2/20 0.50
ADORA2B P29275 1/20 0.50
FYN P06241 1/20 0.49
NOS3 P29474 1/20 0.49
NOS1 P29475 1/20 0.49
NOS2 P35228 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.48
PDGFRB P09619 1/20 0.48

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
SCHEMBL30042175 0.84 CYP2A6 (0.57) DYRK1APIK3CAPIK3CDPIP5K1CPIK3CB
SCHEMBL14970135 0.81 DYRK1A (0.62) DYRK1APIK3CAPIK3CDPIP5K1CPIK3CB
SCHEMBL9966497 0.80 MKNK1 (0.57) PIK3CAPIK3CDPIP5K1CPIK3CBPI4KA
SCHEMBL31174412 0.80 CYP2A6 (0.68) PIK3CAPIK3CDPIP5K1CPIK3CBPI4KA
SCHEMBL3754419 0.80 CYP2A6 (0.68) PIK3CAPIK3CDPIP5K1CPIK3CBPI4KA
SCHEMBL18985672 0.79 PIK3CA (0.56) PIK3CAPIK3CDPIP5K1CPIK3CBPI4KA
SCHEMBL13633548 0.79 DYRK1A (0.62) DYRK1APIK3CAMKNK1MKNK2NOS3
SCHEMBL4619570 0.78 MAP4K4 (0.58) DYRK1APIK3CDMKNK1MKNK2NOS3
SCHEMBL10272931 0.78 CYP2A6 (0.50) PIK3CAPIK3CDPIP5K1CPIK3CBPI4KA
SCHEMBL10220722 0.78 CYP2A6 (0.50) PIK3CAPIK3CDPIP5K1CPIK3CBPI4KA

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 4741/4885PIK3CA 2089/4885PIK3CD 1846/4885
US-20090275577-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS DPYD, TYMP, ITPA DYRK1A 4705/4885PIK3CA 701/4885PIK3CD 540/4885

“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.