SCHEMBL20964201

SCHEMBL20964201

COc1ccc(CNc2cc(C=O)c(-c3cccc(N[S+]([O-])C(C)(C)C)c3)nn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.44
PTGDR Q13258 1/20 0.40
VNN1 O95497 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
DYRK1A Q13627 3/20 0.38
CLK4 Q9HAZ1 3/20 0.38
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
PPARA Q07869 2/20 0.35
PTGS2 P35354 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
ERN1 O75460 1/20 0.35
HRH1 P35367 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
TP53 P04637 1/20 0.34
MAP2K7 O14733 1/20 0.34

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
SCHEMBL17640679 0.81 NPC1 (0.49) PIK3CDPTGDRVNN1NPC1RAB9A
SCHEMBL19307614 0.75 HIF1A (0.41) PIK3CDPTGDRVNN1NPC1RAB9A
SCHEMBL17633529 0.75 HIF1A (0.41) PIK3CDPTGDRVNN1NPC1RAB9A
SCHEMBL17640675 0.71 PIK3CD (0.49) PIK3CDPTGDRNPC1RAB9AMAPT
SCHEMBL17633515 0.70 PIK3CD (0.71) PIK3CDPTGDRVNN1NPC1RAB9A
SCHEMBL17633513 0.70 PIK3CD (0.71) PIK3CDPTGDRVNN1NPC1RAB9A
SCHEMBL17640756 0.70 NPC1 (0.50) PTGDRVNN1NPC1RAB9AMAPT
SCHEMBL17640741 0.66 MAPT (0.41) PIK3CDVNN1NPC1RAB9AMAPT
SCHEMBL19307621 0.66 MAPT (0.41) PIK3CDVNN1NPC1RAB9AMAPT
SCHEMBL19307620 0.66 MAPT (0.41) PIK3CDVNN1NPC1RAB9AMAPT

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20190127391-A1 NOVEL IMIDAZOPYRIDAZINE COMPOUNDS AND THEIR USE PIK3R5, PIK3CD, PIK3CB PIK3CD 2/4885PTGDR 1231/4885VNN1 4205/4885
US-10611777-B2 Imidazopyridazine compounds and their use PIK3R5, PIK3CD, INPP5D PIK3CD 2/4885PTGDR 959/4885VNN1 4112/4885

“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.