SCHEMBL23762101

SCHEMBL23762101

Cc1ccc(S(=O)(=O)n2cc(-c3ccnc(NCC4CCOCC4)c3)c3c(Oc4ccc5c(c4)CN(C(=O)OC(C)(C)C)CC5)ccnc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 4/20 0.36
▸ PRMT5 O14744 1/20 0.34
▸ TBK1 Q9UHD2 3/20 0.34
▸ NR1H2 P55055 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ BUB1 O43683 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ MOGAT2 Q3SYC2 2/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ TGFBR1 P36897 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ACACB O00763 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
SCHEMBL21593118 0.96 NR1H2 (0.36) PRMT5TBK1NR1H2CCNT1CDK9
SCHEMBL23762161 0.91 PIP5K1C (0.36) TBK1NR1H2CDK9PIK3CA
SCHEMBL21593219 0.88 UCHL1 (0.34) BCL2TBK1NR1H2ACACB
SCHEMBL21593192 0.88 NR1H2 (0.38) NR1H2
SCHEMBL29836554 0.88 NR1H2 (0.38) NR1H2
SCHEMBL21593191 0.88 NR1H2 (0.38) NR1H2CCNT1CDK9GPR119MEN1
SCHEMBL29836556 0.87 ACHE (0.39) NR1H2MEN1KMT2AACACB
SCHEMBL21593076 0.87 ACHE (0.39) NR1H2MEN1KMT2AACACB
SCHEMBL21593117 0.87 NR1H2 (0.34) NR1H2GPR119MEN1KMT2AACACB
SCHEMBL23762175 0.86 UCHL1 (0.35) NR1H2CCNT1CDK9BUB1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210253568-A1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2021-08-19 — — 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 (1 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-20210253568-A1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS ROCK1, ROCK2, RHOA BCL2 3018/4885PRMT5 44/4885TBK1 1598/4885

“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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