SCHEMBL23762161

SCHEMBL23762161

Cc1ccc(S(=O)(=O)n2cc(-c3ccnc(NC(=O)C4CCOCC4)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
▸ PIP5K1C O60331 7/20 0.36
▸ PIK3CA P42336 5/20 0.36
▸ TBK1 Q9UHD2 2/20 0.35
▸ CSF1R P07333 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ MAPK8 P45983 2/20 0.34
▸ MAPK10 P53779 2/20 0.34
▸ MAPK14 Q16539 2/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ UCHL1 P09936 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ WNT3A P56704 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL21593192 0.96 NR1H2 (0.38) NR1H2IGF1RUCHL1NPC1RAB9A
SCHEMBL29836554 0.96 NR1H2 (0.38) NR1H2IGF1RUCHL1NPC1RAB9A
SCHEMBL23762175 0.94 UCHL1 (0.35) CSF1RPDGFRAMAPK8MAPK10MAPK14
SCHEMBL21593219 0.92 UCHL1 (0.34) TBK1CSF1RNR1H2IGF1RUCHL1
SCHEMBL23762101 0.91 BCL2 (0.36) PIK3CATBK1NR1H2CDK9
SCHEMBL21593191 0.90 NR1H2 (0.38) NR1H2IGF1RCDK9HTR6WNT3A
SCHEMBL21593118 0.89 NR1H2 (0.36) TBK1NR1H2IGF1RCDK9HTR6
SCHEMBL23751185 0.88 MAPT (0.37) CDK9
SCHEMBL21593189 0.88 NR1H2 (0.37) NR1H2IGF1RHTR6WNT3AHDAC8
SCHEMBL23762216 0.87 ACACB (0.36) MAPK14NR1H2IGF1RNPC1RAB9A

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 PIP5K1C 202/4885PIK3CA 734/4885TBK1 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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