SCHEMBL17640636

SCHEMBL17640636

C[C@H](N)c1cc2nccn2nc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.56
PIK3CG P48736 3/20 0.49
AKT1 P31749 3/20 0.48
AKT2 P31751 1/20 0.48
MAP4K4 O95819 3/20 0.40
PRKACA P17612 3/20 0.40
CDK8 P49336 3/20 0.40
LRRK2 Q5S007 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
CSF1R P07333 2/20 0.40
KDR P35968 2/20 0.40
MAP2K1 Q02750 2/20 0.40
ACVR1 Q04771 2/20 0.40
ROCK1 Q13464 2/20 0.40
DYRK1B Q9Y463 2/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40

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
SCHEMBL17640596 1.00 PIK3CD (0.56) PIK3CDPIK3CGAKT1AKT2MAP4K4
SCHEMBL20964203 1.00 PIK3CD (0.56) PIK3CDPIK3CGAKT1AKT2MAP4K4
Hydrochloric Acid SCHEMBL25322360 0.99 PIK3CD (0.55) PIK3CDPIK3CGAKT1AKT2MAP4K4
Hydrochloric Acid SCHEMBL25322357 0.99 PIK3CD (0.55) PIK3CDPIK3CGAKT1AKT2MAP4K4
SCHEMBL17640685 0.89 DYRK1A (0.47) PIK3CDPIK3CGAKT1AKT2MAP4K4
SCHEMBL17640714 0.87 PIK3CD (0.45) PIK3CDPIK3CGAKT1AKT2MAP4K4
SCHEMBL17640722 0.87 PIK3CD (0.45) PIK3CDPIK3CGAKT1AKT2MAP4K4
SCHEMBL19322410 0.87 PIK3CD (0.53) PIK3CDPIK3CGAKT1AKT2MAP4K4
SCHEMBL17640716 0.87 PIK3CD (0.45) PIK3CDPIK3CGAKT1AKT2KDR
SCHEMBL17640717 0.86 PIK3CD (0.44) PIK3CDPIK3CGAKT1AKT2MAP4K4

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 10 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-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-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-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
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 PIK3CD 2/4885PIK3CG 9/4885AKT1 86/4885
US-10208066-B2 Imidazopyridazine compounds and their use PIK3R5, PIK3CD, INPP5D PIK3CD 2/4885PIK3CG 8/4885AKT1 103/4885
US-20190127391-A1 NOVEL IMIDAZOPYRIDAZINE COMPOUNDS AND THEIR USE PIK3R5, PIK3CD, PIK3CB PIK3CD 2/4885PIK3CG 9/4885AKT1 86/4885
US-10611777-B2 Imidazopyridazine compounds and their use PIK3R5, PIK3CD, INPP5D PIK3CD 2/4885PIK3CG 8/4885AKT1 103/4885

“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.