SCHEMBL17640655

SCHEMBL17640655

COc1ccc(CNc2cc(C(=O)N(C)OC)c(-c3ccccc3)nn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 2/20 0.44
HDAC1 Q13547 2/20 0.43
PTGDR Q13258 1/20 0.43
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
PIK3CD O00329 1/20 0.42
VNN1 O95497 1/20 0.41
POLB P06746 1/20 0.41
VCP P55072 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ASPH Q12797 1/20 0.41
RIOX2 Q8IUF8 1/20 0.41
KDM8 Q8N371 1/20 0.41
CLK4 Q9HAZ1 2/20 0.41
DYRK1A Q13627 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL17640593 0.83 MAPT (0.44) NPC1RAB9AMAPTHDAC1MEN1
SCHEMBL17640679 0.76 NPC1 (0.49) HIF1ANPC1RAB9AMAPTPTGDR
SCHEMBL19307654 0.76 PIK3CD (0.49) HIF1ANPC1RAB9AMAPTHDAC1
SCHEMBL17640680 0.73 PIK3CD (0.51) HIF1ANPC1RAB9AMAPTPTGDR
SCHEMBL5223669 0.73 CLK4 (0.54) HIF1ANPC1RAB9AMAPTMEN1
SCHEMBL17633534 0.73 ALDH1A1 (0.40) NPC1RAB9AMAPTMEN1HPGD
SCHEMBL17633532 0.73 ALDH1A1 (0.40) NPC1RAB9AMEN1HPGDKMT2A
SCHEMBL370570 0.71 CACNA1G (0.45) HIF1ANPC1RAB9AMAPTMEN1
SCHEMBL15130283 0.71 NPBWR1 (0.44) HIF1ANPC1RAB9AMAPTMEN1
SCHEMBL6086559 0.70 MEN1 (0.46) NPC1RAB9AMAPTMEN1HPGD

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 7 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-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 HIF1A 2837/4885NPC1 2690/4885RAB9A 531/4885
US-10208066-B2 Imidazopyridazine compounds and their use PIK3R5, PIK3CD, INPP5D HIF1A 2826/4885NPC1 2771/4885RAB9A 634/4885
US-20190127391-A1 NOVEL IMIDAZOPYRIDAZINE COMPOUNDS AND THEIR USE PIK3R5, PIK3CD, PIK3CB HIF1A 2837/4885NPC1 2690/4885RAB9A 531/4885
US-10611777-B2 Imidazopyridazine compounds and their use PIK3R5, PIK3CD, INPP5D HIF1A 2826/4885NPC1 2771/4885RAB9A 634/4885

“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.