SCHEMBL17640709

SCHEMBL17640709

Cc1cn2nc(-c3ccccc3)c([C@H](C)N)cc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.57
AKT1 P31749 1/20 0.51
AKT2 P31751 1/20 0.51
DYRK1A Q13627 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
HTT P42858 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIK3CG P48736 5/20 0.38
PIK3R2 O00459 2/20 0.38
PDE10A Q9Y233 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ADORA2A P29274 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 3/20 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
SCHEMBL25333500 0.81 PIK3CD (0.42) PIK3CDAKT1AKT2NPC1RAB9A
SCHEMBL25333496 0.81 PIK3CD (0.42) PIK3CDAKT1AKT2NPC1RAB9A
SCHEMBL17640636 0.80 PIK3CD (0.56) PIK3CDAKT1AKT2DYRK1APIK3CG
SCHEMBL20964203 0.80 PIK3CD (0.56) PIK3CDAKT1AKT2DYRK1APIK3CG
SCHEMBL17640596 0.80 PIK3CD (0.56) PIK3CDAKT1AKT2DYRK1APIK3CG
Hydrochloric Acid SCHEMBL25322360 0.78 PIK3CD (0.55) PIK3CDAKT1AKT2DYRK1APIK3CG
Hydrochloric Acid SCHEMBL25322357 0.78 PIK3CD (0.55) PIK3CDAKT1AKT2DYRK1APIK3CG
SCHEMBL19317549 0.76 PIK3CD (0.58) PIK3CDAKT1AKT2PIK3CGPIK3R2
SCHEMBL19317550 0.74 PIK3CD (1.00) PIK3CDPIK3CGPIK3R2
SCHEMBL17640722 0.73 PIK3CD (0.45) PIK3CDAKT1AKT2ALDH1A1PIK3CG

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 PIK3CD 2/4885AKT1 86/4885AKT2 52/4885
US-10208066-B2 Imidazopyridazine compounds and their use PIK3R5, PIK3CD, INPP5D PIK3CD 2/4885AKT1 103/4885AKT2 65/4885
US-20190127391-A1 NOVEL IMIDAZOPYRIDAZINE COMPOUNDS AND THEIR USE PIK3R5, PIK3CD, PIK3CB PIK3CD 2/4885AKT1 86/4885AKT2 52/4885
US-10611777-B2 Imidazopyridazine compounds and their use PIK3R5, PIK3CD, INPP5D PIK3CD 2/4885AKT1 103/4885AKT2 65/4885

“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.