SCHEMBL25453027

SCHEMBL25453027

CCCOc1cncc([C@@H](N)CC(=O)OC(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 2/20 0.35
ROCK1 Q13464 3/20 0.33
PRKACA P17612 2/20 0.33
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
PRKX P51817 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
ROCK2 O75116 1/20 0.33
DYRK3 O43781 1/20 0.33
RPS6KB1 P23443 1/20 0.33
CDK2 P24941 1/20 0.33
AKT2 P31751 1/20 0.33
IRAK1 P51617 1/20 0.33
CDK5 Q00535 1/20 0.33
PRKCD Q05655 1/20 0.33
PRKG2 Q13237 1/20 0.33
PRKG1 Q13976 1/20 0.33
PKN2 Q16513 1/20 0.33
MINK1 Q8N4C8 1/20 0.33
HIPK4 Q8NE63 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
SCHEMBL7947624 0.90 HDAC4 (0.33) KMT2AKDM4EALDH1A1CHRNB2CHRNB4
SCHEMBL7947620 0.90 HDAC4 (0.33) KMT2AKDM4EALDH1A1CHRNB2CHRNB4
SCHEMBL30192558 0.85
SCHEMBL3861123 0.85 MKNK1 (0.37)
SCHEMBL3861120 0.85 MKNK1 (0.37)
SCHEMBL14714255 0.82 KMT2A (0.52) PRKCDKMT2AALOX5
SCHEMBL28116069 0.82 KMT2A (0.52) PRKCDKMT2AALOX5
SCHEMBL14699396 0.79 CYP1A2 (0.37) KDM4ENPC1RAB9A
SCHEMBL14699398 0.79 CYP1A2 (0.37) KDM4ENPC1RAB9A
SCHEMBL14714190 0.79 CYP2D6 (0.31)

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-20230142546-A1 RADIOPHARMACEUTICALS AND COMPOSITION FOR THROMBUS IMAGING THE ASAN FOUNDATION (KR) 2023-05-11 US disclosed
US-20230129721-A1 STABILIZER FOR RADIOPHARMACEUTICALS AND RADIOPHARMACEUTICAL COMPOSITION COMPRISING THE SAME THE ASAN FOUNDATION (KR) 2023-04-27 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 (2 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-20230142546-A1 RADIOPHARMACEUTICALS AND COMPOSITION FOR THROMBUS IMAGING SERPINC1, F3, F11 GGPS1 1676/4885ROCK1 461/4885PRKACA 4340/4885
US-20230129721-A1 STABILIZER FOR RADIOPHARMACEUTICALS AND RADIOPHARMACEUTICAL COMPOSITION COMPRISING THE SAME GC, ADORA2B, TBCB GGPS1 225/4885ROCK1 3819/4885PRKACA 4738/4885

“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.