SCHEMBL21877367

SCHEMBL21877367

CC(C(N)=O)c1ccc2cnccc2c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 15/20 0.46
ROCK1 Q13464 3/20 0.45
RIOK2 Q9BVS4 1/20 0.44
IMPDH2 P12268 1/20 0.43
AR P10275 1/20 0.43
MYLK4 Q86YV6 1/20 0.43

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
Hydrochloric Acid SCHEMBL111598 0.98 ROCK2 (0.45) ROCK2ROCK1RIOK2IMPDH2AR
SCHEMBL31370526 0.86 AKR1C3 (0.58) ROCK2ROCK1IMPDH2
SCHEMBL1492894 0.86 AKR1C3 (0.58) ROCK2ROCK1IMPDH2
SCHEMBL16634905 0.81 ROCK2 (0.52) ROCK2ROCK1MYLK4
SCHEMBL30564493 0.79 AKR1C3 (0.54)
SCHEMBL1492665 0.79 APP (0.45) ROCK2RIOK2IMPDH2
SCHEMBL1137612 0.78 UGT2B7 (0.58)
SCHEMBL3128980 0.78 UGT2B7 (0.58) ROCK2ROCK1IMPDH2
SCHEMBL13877544 0.78 ROCK2 (0.43) ROCK2ROCK1IMPDH2MYLK4
SCHEMBL29941609 0.78 UGT2B7 (0.58)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11618748-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2023-04-04 US disclosed
US-11197853-B2 Combination therapy AERIE PHARMACEUTICALS, INC. (US) 2021-12-14 US disclosed
US-20210236477-A1 COMBINATION THERAPY ALCON INC. (CH) 2021-08-05 US disclosed
US-11020385-B2 Combination therapy AERIE PHARMACEUTICALS, INC. (US) 2021-06-01 US disclosed
US-20200129498-A1 COMBINATION THERAPY ALCON INC. (CH) 2020-04-30 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 (5 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-11618748-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 ROCK2 3/4885ROCK1 10/4885RIOK2 791/4885
US-11020385-B2 Combination therapy PTGS1, PTGS2, PTGIS ROCK2 110/4885ROCK1 159/4885RIOK2 2951/4885
US-20210236477-A1 COMBINATION THERAPY PTGS1, PTGS2, PTGIS ROCK2 110/4885ROCK1 159/4885RIOK2 2951/4885
US-20200129498-A1 COMBINATION THERAPY PTGS1, PTGS2, PTGIS ROCK2 110/4885ROCK1 159/4885RIOK2 2951/4885
US-11197853-B2 Combination therapy PTGS1, PTGS2, PTGIS ROCK2 110/4885ROCK1 159/4885RIOK2 2951/4885

“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.