SCHEMBL21593138

SCHEMBL21593138

Cc1ccc(S(=O)(=O)n2cc(-c3cc(NCCc4cccnc4)ncn3)c3c(Oc4ccc5c(c4)CN(C(=O)OC(C)(C)C)CC5)ccnc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 1/20 0.34
▸ ACACB O00763 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.32
▸ CYP3A4 P08684 3/20 0.32
▸ CYP2C19 P33261 3/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ PDPK1 O15530 1/20 0.32
▸ PORCN Q9H237 1/20 0.32
▸ NAMPT P43490 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ GCK P35557 1/20 0.31
▸ TBK1 Q9UHD2 1/20 0.31
▸ CDK9 P50750 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
SCHEMBL21593181 0.94 HTR6 (0.35) ACACBNR1H2MAPTHTR6ALDH1A1
SCHEMBL21593100 0.90 ACHE (0.38) ACACBCYP2C19CYP2D6CYP2C9NR1H2
SCHEMBL29836487 0.90 ACHE (0.38) ACACBCYP2C19CYP2D6CYP2C9NR1H2
SCHEMBL21593186 0.90 HTR6 (0.36) ACACBGPR119NR1H2HTR6ALDH1A1
SCHEMBL21593182 0.85 HCRTR2 (0.35) HCRTR2ACACBGPR119NR1H2MAPT
SCHEMBL23762076 0.85 GCK (0.36) NR1H2MAPTHTR6GCKCDK9
SCHEMBL21593188 0.84 HTR6 (0.35) ACACBGPR119NR1H2HTR6GCK
SCHEMBL21593137 0.84 HTR6 (0.35) ACACBGPR119NR1H2HTR6GCK
SCHEMBL23751199 0.83 ALDH1A1 (0.38) CYP3A4CYP2C19CYP2D6CYP2C9NAMPT
SCHEMBL21593132 0.83 ACHE (0.40) NR1H2HTR6ALDH1A1GCKCDK9

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 HCRTR2 2567/4885ACACB 2494/4885GPR119 2300/4885

“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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