SCHEMBL24336342

SCHEMBL24336342

NCC(NC(=O)c1ccc2cnccc2c1)c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 17/20 0.59
ROCK2 O75116 3/20 0.57
UTS2R Q9UKP6 1/20 0.52
CDK2 P24941 5/20 0.52
RPS6KA5 O75582 2/20 0.50
GSK3B P49841 2/20 0.50
NEK4 P51957 2/20 0.50
PRKCD Q05655 2/20 0.50
PRKG2 Q13237 2/20 0.50
ROCK1 Q13464 2/20 0.50
PRKG1 Q13976 2/20 0.50
PKN2 Q16513 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
MAPK13 O15264 1/20 0.50
DYRK3 O43781 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
CHEK2 O96017 1/20 0.50
PRKCG P05129 1/20 0.50
CDK1 P06493 1/20 0.50

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
SCHEMBL24336345 0.89 ROCK2 (0.57) AKT1ROCK2CDK2RPS6KA5GSK3B
SCHEMBL21848086 0.88 ROCK2 (0.65) AKT1ROCK2CDK2RPS6KA5GSK3B
SCHEMBL21848089 0.88 ROCK2 (0.65) AKT1ROCK2CDK2RPS6KA5GSK3B
SCHEMBL21848065 0.88 ROCK2 (0.58) AKT1ROCK2CDK2RPS6KA5GSK3B
SCHEMBL21848062 0.88 ROCK2 (0.58) AKT1ROCK2CDK2RPS6KA5GSK3B
SCHEMBL24335890 0.85 AKT1 (0.60) AKT1ROCK2UTS2RCDK2RPS6KA5
SCHEMBL22077629 0.81 ROCK2 (0.53) AKT1ROCK2CDK2RPS6KA5GSK3B
SCHEMBL22077628 0.81 ROCK2 (0.53) AKT1ROCK2CDK2RPS6KA5GSK3B
SCHEMBL28265491 0.81 ROCK2 (0.65) AKT1ROCK2CDK2RPS6KA5GSK3B
SCHEMBL21848085 0.80 AKT1 (0.59) AKT1ROCK2CDK2ROCK1MAPK1

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-20220119350-A1 COMPOUNDS FOR THE TREATMENT OF OCULAR DISEASE GLAUKOS CORPORATION 2022-04-21 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-20220119350-A1 COMPOUNDS FOR THE TREATMENT OF OCULAR DISEASE ALDH1A2, SQOR, EYA3 AKT1 2967/4885ROCK2 769/4885UTS2R 391/4885

“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.