SCHEMBL19962891

SCHEMBL19962891

CCCn1cc(-n2cc(-c3ccc(OCC4CC4)nc3C)cn2)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 7/20 0.40
▸ PDGFRA P16234 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ HASPIN Q8TF76 1/20 0.39
▸ RIPK2 O43353 4/20 0.38
▸ ADORA3 P0DMS8 2/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ ADORA2B P29275 2/20 0.33
▸ ADORA1 P30542 2/20 0.33
▸ PDE10A Q9Y233 2/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ GRM2 Q14416 2/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ PIK3CD O00329 1/20 0.32

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
SCHEMBL19962888 0.88 MELK (0.37) MELKRIPK2ADORA3ADORA2AADORA2B
SCHEMBL19962885 0.86 MELK (0.40) MELKRIPK2ADORA3ADORA2AADORA2B
SCHEMBL19951563 0.86 MELK (0.42) MELKRIPK2ADORA3ADORA2AADORA2B
SCHEMBL29992811 0.86 MELK (0.42) MELKRIPK2ADORA3ADORA2AADORA2B
SCHEMBL19962883 0.85 MELK (0.40) MELKADORA3ADORA2AADORA2BADORA1
SCHEMBL19962921 0.84 RIPK2 (0.34) MELKFLT3RIPK2ADORA3ADORA2A
SCHEMBL19962887 0.84 RIPK2 (0.34) MELKFLT3RIPK2ADORA3ADORA2A
SCHEMBL19962889 0.83 NUDT1 (0.35) RIPK2ADORA3ADORA2AADORA2BADORA1
SCHEMBL19962945 0.83 NR3C1 (0.35) MELKRIPK2ADORA3ADORA2AADORA2B
SCHEMBL19962922 0.82 NR3C1 (0.34) MELKADORA3ADORA2AADORA2BADORA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339142-B2 Di-substituted pyrazole compounds for the treatment of diseases FGH BIOTECH, INC. (US) 2022-05-24 — — US disclosed
WO-2020132700-A1 METHODS OF USING INHIBITORS OF SREBP IN COMBINATION WITH NICLOSAMIDE AND ANALOGS THEREOF Fgh Biotech Inc. (US) 2020-06-25 — — WO disclosed
US-20190194167-A1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES FGH BIOTECH, INC. 2019-06-27 — — US disclosed
WO-2018049080-A1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES FGH BIOTECH, INC. (US) 2018-03-15 — — 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 (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-11339142-B2 Di-substituted pyrazole compounds for the treatment of diseases SREBF1, SREBF2, CYP27A1 MELK 1854/4885PDGFRA 1533/4885FLT3 2116/4885
US-20190194167-A1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES SREBF1, SREBF2, CYP27A1 MELK 1854/4885PDGFRA 1533/4885FLT3 2116/4885

“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.

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