Sugi Predict

Sugi Predict / Compounds / SCHEMBL4523817

SCHEMBL4523817

SCHEMBL4523817

N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RUVBL1 Q9Y265 4/20 0.67
▸ AKT1 P31749 4/20 0.67
▸ CDC7 O00311 1/20 0.67
▸ CHUK O15111 1/20 0.67
▸ MAPK13 O15264 1/20 0.67
▸ DAPK3 O43293 1/20 0.67
▸ DYRK3 O43781 1/20 0.67
▸ ROCK2 O75116 1/20 0.67
▸ RPS6KA5 O75582 1/20 0.67
▸ PRKCG P05129 1/20 0.67
▸ PIM1 P11309 1/20 0.67
▸ PRKACA P17612 1/20 0.67
▸ RPS6KB1 P23443 1/20 0.67
▸ CDK2 P24941 1/20 0.67
▸ AKT2 P31751 1/20 0.67
▸ FLT4 P35916 1/20 0.67
▸ CSNK1D P48730 1/20 0.67
▸ CLK2 P49760 1/20 0.67
▸ GSK3A P49840 1/20 0.67
▸ GSK3B P49841 1/20 0.67

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
SCHEMBL16608982 0.93 AKT1 (0.71) RUVBL1AKT1CDC7CHUKMAPK13
Hydrochloric Acid SCHEMBL16599838 0.92 AKT1 (0.70) RUVBL1AKT1CDC7CHUKMAPK13
Hydrochloric Acid SCHEMBL19748758 0.89 RUVBL1 (0.73) RUVBL1AKT1CDC7CHUKMAPK13
SCHEMBL9610738 0.86 MEN1 (0.71) RUVBL1AKT1CDC7CHUKMAPK13
SCHEMBL30767397 0.86 MEN1 (0.71) RUVBL1AKT1CDC7CHUKMAPK13
SCHEMBL9609465 0.86 MEN1 (0.71) RUVBL1AKT1CDC7CHUKMAPK13
SCHEMBL8252240 0.85 RUVBL1 (0.70) RUVBL1AKT1CDC7CHUKMAPK13
Hydrochloric Acid SCHEMBL19747056 0.85 MEN1 (0.69) RUVBL1AKT1CDC7CHUKMAPK13
Hydrochloric Acid SCHEMBL21082966 0.85 MEN1 (0.69) RUVBL1AKT1CDC7CHUKMAPK13
SCHEMBL7035663 0.84 RUVBL1 (0.66) RUVBL1AKT1CDC7CHUKMAPK13

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 10 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
CN-101253152-A Amide derivatives as ROCK inhibitors ASTELLAS PHARMA INC (JP) 2008-08-27 — — CN disclosed
EP-1922306-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS Astellas Pharma Inc. (JP) 2008-05-21 — — EP disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 — — WO 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 RUVBL1 3481/4885AKT1 41/4885CDC7 2142/4885

“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.