SCHEMBL12409271

SCHEMBL12409271

Oc1ccc(-c2cnc3c(NCc4cccnc4)nccn23)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TTK P33981 10/20 0.56
ADORA3 P0DMS8 3/20 0.54
ALDH1A1 P00352 3/20 0.51
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 3/20 0.51
KDM4E B2RXH2 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51
GAA P10253 1/20 0.51
CYP2C9 P11712 1/20 0.51
CCNE1 P24864 2/20 0.44
CDK2 P24941 2/20 0.44
FYN P06241 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL12409244 0.90 TTK (0.68) TTKADORA3ALDH1A1KDM4EGAA
SCHEMBL12409318 0.88 ADORA3 (0.52) TTKADORA3ALDH1A1CYP1A2CYP3A4
SCHEMBL12409243 0.87 TTK (0.57) TTKADORA3FYN
SCHEMBL14668730 0.87 TTK (0.56) TTKADORA3
SCHEMBL12409289 0.84 TTK (0.56) TTKADORA3FYN
SCHEMBL12409312 0.84 ADORA3 (0.56) TTKADORA3GAAFYN
SCHEMBL12409264 0.84 ADORA3 (0.56) TTKADORA3ALDH1A1CYP1A2CYP3A4
SCHEMBL12409259 0.83 TTK (0.55) TTKADORA3ALDH1A1KDM4EFYN
SCHEMBL12409282 0.83 TTK (0.55) TTKADORA3ALDH1A1KDM4EGAA
SCHEMBL12473557 0.83 ADORA3 (0.50) TTKADORA3ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2567960-A2 Imidazo[1,2-a]pyrazine compounds for treatment of viral infections such as hepatitis Biofocus DPI Limited (GB) 2013-03-13 EP disclosed
US-8362018-B2 Substituted imidazo[1,2-a]pyrazine compounds useful for the treatment of viral infections BIOFOCUS DPI, LTD. (GB) 2013-01-29 US disclosed
US-8362018-B2 Substituted imidazo[1,2-a]pyrazine compounds useful for the treatment of viral infections BIOFOCUS DPI, LTD. (GB) 2013-01-29 US disclosed
US-20110166147-A1 IMIDAZOPYRAZINE COMPOUNDS BIOFOCUS DPI, LTD. (GB) 2011-07-07 US disclosed
US-20110166147-A1 IMIDAZOPYRAZINE COMPOUNDS BIOFOCUS DPI, LTD. (GB) 2011-07-07 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 (1 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-20110166147-A1 IMIDAZOPYRAZINE COMPOUNDS CYP3A5, HAVCR2, CYP3A43 TTK 3239/4885ADORA3 4222/4885ALDH1A1 750/4885

“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.