SCHEMBL17640741

SCHEMBL17640741

COc1ccc(CNc2cc(/C=N/[S+]([O-])C(C)(C)C)c(Cl)nn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
PDE5A O76074 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
CLK4 Q9HAZ1 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PIK3CD O00329 1/20 0.36
VNN1 O95497 1/20 0.36
TP53 P04637 1/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
PDE2A O00408 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL19307621 1.00 MAPT (0.41) MAPTNPC1RAB9APDE5AKMT2A
SCHEMBL19307620 1.00 MAPT (0.41) MAPTNPC1RAB9APDE5AKMT2A
SCHEMBL19307614 0.84 HIF1A (0.41) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL17633529 0.84 HIF1A (0.41) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL17640756 0.78 NPC1 (0.50) MAPTNPC1RAB9APDE5AKMT2A
SCHEMBL19307612 0.73 PIK3CD (0.43) MAPTNPC1RAB9APDE5AKMT2A
SCHEMBL17640754 0.73 PIK3CD (0.43) MAPTNPC1RAB9APDE5AKMT2A
SCHEMBL19307613 0.73 PIK3CD (0.43) MAPTNPC1RAB9APDE5AKMT2A
SCHEMBL19317562 0.72 PIK3CD (0.46) MAPTNPC1RAB9APDE5AKMT2A
SCHEMBL22158799 0.71 KDM4E (0.52) MAPTNPC1RAB9AKMT2AHPGD

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 MAPT 4544/4885NPC1 2690/4885RAB9A 531/4885
US-10208066-B2 Imidazopyridazine compounds and their use PIK3R5, PIK3CD, INPP5D MAPT 4517/4885NPC1 2771/4885RAB9A 634/4885
US-20190127391-A1 NOVEL IMIDAZOPYRIDAZINE COMPOUNDS AND THEIR USE PIK3R5, PIK3CD, PIK3CB MAPT 4544/4885NPC1 2690/4885RAB9A 531/4885
US-10611777-B2 Imidazopyridazine compounds and their use PIK3R5, PIK3CD, INPP5D MAPT 4517/4885NPC1 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.