SCHEMBL21593221

SCHEMBL21593221

Cc1ccc(S(=O)(=O)n2cc(-c3ccnc(NC(=O)N(C)C4CCCCC4)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
▸ UCHL1 P09936 2/20 0.36
▸ GCK P35557 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ IGF1R P08069 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ USP30 Q70CQ3 2/20 0.33
▸ POLB P06746 1/20 0.32
▸ WNT1 P04628 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ ACACB O00763 1/20 0.31
▸ WNT3A P56704 1/20 0.31
▸ GPR119 Q8TDV5 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ RAF1 P04049 1/20 0.31
▸ BRAF P15056 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
SCHEMBL21593219 0.94 UCHL1 (0.34) UCHL1GCKIGF1RNR1H2USP30
SCHEMBL23762175 0.92 UCHL1 (0.35) UCHL1GCKIGF1RNR1H2WNT3A
SCHEMBL21593192 0.90 NR1H2 (0.38) UCHL1IGF1RNR1H2WNT3AHDAC8
SCHEMBL29836554 0.90 NR1H2 (0.38) UCHL1IGF1RNR1H2WNT3AHDAC8
SCHEMBL23762177 0.88 WNT3A (0.35) UCHL1IGF1RNR1H2HTR6ACACB
SCHEMBL21593191 0.87 NR1H2 (0.38) IGF1RNR1H2HTR6ACACBWNT3A
SCHEMBL23762161 0.87 PIP5K1C (0.36) UCHL1IGF1RNR1H2HTR6WNT3A
SCHEMBL21593118 0.86 NR1H2 (0.36) IGF1RNR1H2HTR6ACACBGPR119
SCHEMBL21593193 0.86 NR1H2 (0.34) UCHL1IGF1RNR1H2HTR6ACACB
SCHEMBL29836478 0.86 NR1H2 (0.34) UCHL1IGF1RNR1H2HTR6ACACB

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 UCHL1 3086/4885GCK 3395/4885MAPK1 393/4885

“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.

Send feedback