SCHEMBL26318537

SCHEMBL26318537

CC(C)C1CCC(C(=O)Nc2ccncc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 1.00
ROCK1 Q13464 4/20 1.00
PKN2 Q16513 3/20 0.79
RPS6KA5 O75582 2/20 0.79
LRRK2 Q5S007 2/20 0.79
TP53 P04637 2/20 0.79
CYP3A4 P08684 2/20 0.79
TSHR P16473 2/20 0.79
CHUK O15111 1/20 0.79
PRKD3 O94806 1/20 0.79
CDK1 P06493 1/20 0.79
CDK2 P24941 1/20 0.79
LTK P29376 1/20 0.79
CDK8 P49336 1/20 0.79
PRKX P51817 1/20 0.79
CDK5 Q00535 1/20 0.79
PRKCQ Q04759 1/20 0.79
PRKCD Q05655 1/20 0.79
STK3 Q13188 1/20 0.79
PRKG2 Q13237 1/20 0.79

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
SCHEMBL14492963 1.00 ROCK2 (1.00) ROCK2ROCK1PKN2RPS6KA5LRRK2
SCHEMBL26318572 0.90 ROCK2 (0.81) ROCK2ROCK1PKN2RPS6KA5LRRK2
Y-27632 SCHEMBL1980406 0.88 ROCK2 (1.00) ROCK2ROCK1PKN2RPS6KA5LRRK2
Y-27632 SCHEMBL18935698 0.88 ROCK2 (1.00) ROCK2ROCK1PKN2RPS6KA5LRRK2
Y-27632 SCHEMBL20333114 0.88 ROCK2 (1.00) ROCK2ROCK1PKN2RPS6KA5LRRK2
Y-27632 SCHEMBL190356 0.88 ROCK2 (1.00) ROCK2ROCK1PKN2RPS6KA5LRRK2
Y-27632 SCHEMBL598993 0.88 ROCK2 (1.00) ROCK2ROCK1PKN2RPS6KA5LRRK2
Y-27632 SCHEMBL342816 0.88 ROCK2 (1.00) ROCK2ROCK1PKN2RPS6KA5LRRK2
Y-27632 SCHEMBL30286315 0.88 ROCK2 (1.00) ROCK2ROCK1PKN2RPS6KA5LRRK2
Y-27632 SCHEMBL28416532 0.88 ROCK2 (1.00) ROCK2ROCK1PKN2RPS6KA5LRRK2

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-20230255980-A1 TASTE-MASKING ORAL FORMULATIONS OF FASUDIL WOOLSEY PHARMACEUTICALS, INC. 2023-08-17 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-20230255980-A1 TASTE-MASKING ORAL FORMULATIONS OF FASUDIL ROCK1, TAS2R42, MOK ROCK2 4/4885ROCK1 1/4885PKN2 754/4885

“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.