SCHEMBL19962944

SCHEMBL19962944

CCCn1cc(-n2cc(-c3ccc(OC(C)CC)nc3C)cn2)ccc1=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.34
▸ ADORA2A P29274 2/20 0.33
▸ ADORA2B P29275 2/20 0.33
▸ ADORA1 P30542 2/20 0.33
▸ CRHR1 P34998 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ MELK Q14680 1/20 0.31
▸ BRD9 Q9H8M2 1/20 0.31
▸ BRD7 Q9NPI1 1/20 0.31
▸ GRM4 Q14833 1/20 0.30

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
SCHEMBL19962886 1.00 NR3C1 (0.34) NR3C1ADORA2AADORA2BADORA1CRHR1
SCHEMBL19962884 1.00 NR3C1 (0.34) NR3C1ADORA2AADORA2BADORA1CRHR1
SCHEMBL19962945 0.92 NR3C1 (0.35) NR3C1ADORA2AADORA2BADORA1CRHR1
SCHEMBL19962922 0.91 NR3C1 (0.34) NR3C1ADORA2AADORA2BADORA1CRHR1
SCHEMBL19962887 0.88 RIPK2 (0.34) NR3C1ADORA2AADORA2BADORA1ADORA3
SCHEMBL19962921 0.88 RIPK2 (0.34) NR3C1ADORA2AADORA2BADORA1ADORA3
SCHEMBL19962883 0.86 MELK (0.40) NR3C1ADORA2AADORA2BADORA1ADORA3
SCHEMBL19962888 0.83 MELK (0.37) ADORA2AADORA2BADORA1ADORA3MELK
SCHEMBL19962885 0.82 MELK (0.40) ADORA2AADORA2BADORA1ADORA3MELK
SCHEMBL19951563 0.82 MELK (0.42) ADORA2AADORA2BADORA1ADORA3MELK

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 NR3C1 1014/4885ADORA2A 3796/4885ADORA2B 4331/4885
US-20190194167-A1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES SREBF1, SREBF2, CYP27A1 NR3C1 1014/4885ADORA2A 3796/4885ADORA2B 4331/4885

“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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