Sugi Predict

Sugi Predict / Compounds / SCHEMBL4512072

SCHEMBL4512072

SCHEMBL4512072

O=C(N[C@H](CO)c1ccccc1)N1CCc2cc(-c3ccncc3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 10/20 0.55
▸ ROCK1 Q13464 8/20 0.55
▸ GSK3B P49841 4/20 0.55
▸ CLK4 Q9HAZ1 4/20 0.55
▸ MAPK1 P28482 3/20 0.55
▸ RPS6KA5 O75582 3/20 0.55
▸ AKT1 P31749 3/20 0.55
▸ NEK4 P51957 3/20 0.55
▸ PRKCD Q05655 3/20 0.55
▸ PRKG2 Q13237 3/20 0.55
▸ PRKG1 Q13976 3/20 0.55
▸ PKN2 Q16513 3/20 0.55
▸ GSK3A P49840 3/20 0.55
▸ MAPK13 O15264 2/20 0.55
▸ MAP4K4 O95819 2/20 0.55
▸ PRKCG P05129 2/20 0.55
▸ CDK1 P06493 2/20 0.55
▸ RPS6KB1 P23443 2/20 0.55
▸ CDK2 P24941 2/20 0.55
▸ AKT2 P31751 2/20 0.55

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
SCHEMBL4525359 0.79 HTR2C (0.78) HTR2AHTR2CCYP11B1CYP11B2DGAT1
SCHEMBL4511041 0.79 HTR2A (0.58) ROCK2ROCK1GSK3BCLK4MAPK1
SCHEMBL4527947 0.75 CYP11B1 (0.78) ROCK2ROCK1HTR2AHTR2CCYP11B1
SCHEMBL10259875 0.74 HTR2A (0.58) HTR2AHTR2CCYP11B1CYP11B2DGAT1
Hydrochloric Acid SCHEMBL4531569 0.74 HTR2A (0.57) HTR2AHTR2CCYP11B1CYP11B2DGAT1
SCHEMBL4517974 0.73 CYP11B1 (0.53) HTR2AHTR2CCYP11B1CYP11B2
SCHEMBL10260107 0.73 CYP11B1 (0.53) HTR2AHTR2CCYP11B1CYP11B2
SCHEMBL23384744 0.72 ROCK2 (0.59) ROCK2ROCK1HTR2AHTR2CCYP11B1
SCHEMBL4533562 0.72 CYP11B2 (0.72) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL4524946 0.72 CYP11B1 (0.53) HTR2AHTR2CCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 — — US disclosed
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 — — US disclosed
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 — — US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 — — US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 — — US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 — — US disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 — — WO 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA ROCK2 2/4885ROCK1 1/4885GSK3B 89/4885

“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.