SCHEMBL21593117

SCHEMBL21593117

Cc1ccc(S(=O)(=O)n2cc(-c3ccnc(NCc4ccc(C)cn4)c3)c3c(Oc4ccc5c(c4)CN(C(=O)OC(C)(C)C)CC5)ccnc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ WNT3A P56704 4/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ GPR119 Q8TDV5 2/20 0.32
▸ PORCN Q9H237 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ NAMPT P43490 2/20 0.31
▸ IGF1R P08069 1/20 0.31

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
SCHEMBL21593076 0.91 ACHE (0.39) NR1H2ACACBHTR6MEN1KMT2A
SCHEMBL29836556 0.91 ACHE (0.39) NR1H2ACACBHTR6MEN1KMT2A
SCHEMBL21593118 0.90 NR1H2 (0.36) NR1H2ACACBHTR6GPR119NAMPT
SCHEMBL21593191 0.90 NR1H2 (0.38) NR1H2ACACBWNT3AHTR6MEN1
SCHEMBL21593119 0.89 HCRTR2 (0.36) NR1H2ACACBWNT3AHTR6MEN1
SCHEMBL21593189 0.88 NR1H2 (0.37) NR1H2ACACBWNT3AHTR6MEN1
SCHEMBL21593108 0.88 NR1H2 (0.42) NR1H2ACACBHTR6ESR2GPR119
SCHEMBL29836554 0.87 NR1H2 (0.38) NR1H2WNT3AMAPTIGF1R
SCHEMBL21593192 0.87 NR1H2 (0.38) NR1H2WNT3AMAPTIGF1R
SCHEMBL23762101 0.87 BCL2 (0.36) NR1H2ACACBMEN1KMT2AGPR119

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-20210253568-A1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2021-08-19 — — US disclosed
WO-2019238628-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2019-12-19 — — 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 (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 NR1H2 1422/4885ACACB 2494/4885WNT3A 2218/4885

“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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