SCHEMBL12409495

SCHEMBL12409495

Cc1cn2c(-c3ccc(O)cc3)cnc2c(NCc2cccc(S(N)(=O)=O)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 3/20 0.44
NTRK1 P04629 3/20 0.42
NTRK3 Q16288 1/20 0.42
NTRK2 Q16620 1/20 0.42
PDE5A O76074 2/20 0.41
PTK2 Q05397 2/20 0.41
TTK P33981 4/20 0.39
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
LIPG Q9Y5X9 2/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
LIPC P11150 1/20 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
SCHEMBL2180513 0.89 CA1 (0.46) PI4KBPDE5ATTK
SCHEMBL2180707 0.84 TTK (0.52) PI4KBNTRK1NTRK3NTRK2TTK
SCHEMBL12409493 0.82 PTGS2 (0.48) TTK
SCHEMBL12409489 0.82 NTRK1 (0.43) PI4KBNTRK1NTRK3NTRK2PDE5A
SCHEMBL12409492 0.81 TTK (0.41) PI4KBNTRK1NTRK3NTRK2PDE5A
SCHEMBL12409334 0.80 PI4KB (0.45) PI4KBNTRK1NTRK3NTRK2TTK
SCHEMBL12409494 0.79 FYN (0.43) TTKAURKAAURKB
SCHEMBL2178350 0.79 CA1 (0.47) NTRK1NTRK3NTRK2TTK
SCHEMBL12409331 0.78 FYN (0.47) TTKAURKB
SCHEMBL12409491 0.77 CA1 (0.40) PI4KBNTRK1NTRK3NTRK2PDE5A

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-2193131-B1 IMIDAZO[1,2-A]PYRAZINE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS SUCH AS HEPATITIS BIOFOCUS DPI LTD (GB) 2013-01-30 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 PI4KB 2534/4885NTRK1 3339/4885NTRK3 2491/4885

“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.