SCHEMBL21593063

SCHEMBL21593063

Cc1ccc(S(=O)(=O)n2ccc3c(Oc4ccc5c(c4)CN(C(=O)OC(C)(C)C)CC5)ncnc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.46
▸ CYP3A4 P08684 1/20 0.45
▸ ESR2 Q92731 1/20 0.41
▸ GPR119 Q8TDV5 10/20 0.41
▸ HTR6 P50406 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL21593114 0.88 NR1H2 (0.44) NR1H2CYP3A4ESR2GPR119HTR6
SCHEMBL21593086 0.85 NR1H2 (0.44) NR1H2CYP3A4ESR2GPR119HTR6
SCHEMBL21593172 0.80 NR1H2 (0.43) NR1H2CYP3A4ESR2GPR119HTR6
SCHEMBL25259649 0.79 HTR6 (0.41) NR1H2ESR2GPR119HTR6MAPT
SCHEMBL23762168 0.77 ACHE (0.39) NR1H2CYP3A4HTR6ALDH1A1HPGD
SCHEMBL21593084 0.76 NR1H2 (0.42) NR1H2ESR2GPR119HTR6KIT
SCHEMBL21593208 0.76 NR1H2 (0.56) NR1H2CYP3A4ESR2MAPT
SCHEMBL23646517 0.74 NR1H2 (0.62) NR1H2CYP3A4ESR2GPR119CHRM4
SCHEMBL21611514 0.74 NR1H2 (0.53) NR1H2CYP3A4ESR2GPR119CHRM4
SCHEMBL28970123 0.73 GPR119 (0.38) CYP3A4GPR119HTR6KITMEN1

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 1422/4885CYP3A4 1670/4885ESR2 3940/4885

“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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