SCHEMBL17640685

SCHEMBL17640685

C[C@H](N)c1cc2nccn2nc1-c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.47
PIK3CD O00329 5/20 0.46
PIK3CG P48736 2/20 0.41
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
MAPK14 Q16539 6/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
HTT P42858 1/20 0.35
ADORA2A P29274 2/20 0.33
GSK3B P49841 2/20 0.33
MAP4K4 O95819 2/20 0.33
PRKACA P17612 2/20 0.33
CDK8 P49336 2/20 0.33
LRRK2 Q5S007 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
ABL1 P00519 2/20 0.33
KDR P35968 2/20 0.33
AURKA O14965 1/20 0.33

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
SCHEMBL20964203 0.89 PIK3CD (0.56) DYRK1APIK3CDPIK3CGAKT1AKT2
SCHEMBL17640636 0.89 PIK3CD (0.56) DYRK1APIK3CDPIK3CGAKT1AKT2
SCHEMBL17640596 0.89 PIK3CD (0.56) DYRK1APIK3CDPIK3CGAKT1AKT2
Hydrochloric Acid SCHEMBL25322357 0.88 PIK3CD (0.55) DYRK1APIK3CDPIK3CGAKT1AKT2
Hydrochloric Acid SCHEMBL25322360 0.88 PIK3CD (0.55) DYRK1APIK3CDPIK3CGAKT1AKT2
SCHEMBL17640717 0.86 PIK3CD (0.44) DYRK1APIK3CDPIK3CGAKT1AKT2
SCHEMBL17640705 0.85 PIK3CD (0.41) DYRK1APIK3CDPIK3CGAKT1AKT2
SCHEMBL17640714 0.84 PIK3CD (0.45) PIK3CDPIK3CGAKT1AKT2GSK3B
SCHEMBL17640684 0.82 PIK3CD (0.41) DYRK1APIK3CDPIK3CGAKT1AKT2
SCHEMBL17640722 0.82 PIK3CD (0.45) PIK3CDPIK3CGAKT1AKT2MAPK14

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-10611777-B2 Imidazopyridazine compounds and their use HUTCHISON MEDIPHARMA LIMITED (CN) 2020-04-07 US disclosed
US-20190127391-A1 NOVEL IMIDAZOPYRIDAZINE COMPOUNDS AND THEIR USE HUTCHISON MEDIPHARMA LTD (CN) 2019-05-02 US disclosed
US-10208066-B2 Imidazopyridazine compounds and their use HUTCHISON MEDIPHARMA LIMITED (CN) 2019-02-19 US disclosed
US-20170253618-A1 NOVEL IMIDAZOPYRIDAZINE COMPOUNDS AND THEIR USE HUTCHISON MEDIPHARMA LIMITED (CN) 2017-09-07 US disclosed
US-20170253618-A1 NOVEL IMIDAZOPYRIDAZINE COMPOUNDS AND THEIR USE HUTCHISON MEDIPHARMA LIMITED (CN) 2017-09-07 US disclosed
WO-2016045591-A1 NOVEL IMIDAZOPYRIDAZINE COMPOUNDS AND THEIR USE HUTCHISON MEDIPHARMA LIMITED (CN) 2016-03-31 WO 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 (4 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-20170253618-A1 NOVEL IMIDAZOPYRIDAZINE COMPOUNDS AND THEIR USE PIK3R5, PIK3CD, PIK3CB DYRK1A 1936/4885PIK3CD 2/4885PIK3CG 9/4885
US-10208066-B2 Imidazopyridazine compounds and their use PIK3R5, PIK3CD, INPP5D DYRK1A 1513/4885PIK3CD 2/4885PIK3CG 8/4885
US-20190127391-A1 NOVEL IMIDAZOPYRIDAZINE COMPOUNDS AND THEIR USE PIK3R5, PIK3CD, PIK3CB DYRK1A 1936/4885PIK3CD 2/4885PIK3CG 9/4885
US-10611777-B2 Imidazopyridazine compounds and their use PIK3R5, PIK3CD, INPP5D DYRK1A 1513/4885PIK3CD 2/4885PIK3CG 8/4885

“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.