Sugi Predict

Sugi Predict / Compounds / SCHEMBL4529666

SCHEMBL4529666

SCHEMBL4529666

O=C(Nc1ccc(-c2ccncc2)cc1)[C@@H](O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 9/20 0.58
▸ ROCK1 Q13464 8/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ PSEN1 P49768 4/20 0.52
▸ PSEN2 P49810 4/20 0.52
▸ APH1B Q8WW43 4/20 0.52
▸ NCSTN Q92542 4/20 0.52
▸ APH1A Q96BI3 4/20 0.52
▸ PSENEN Q9NZ42 4/20 0.52
▸ POLB P06746 2/20 0.51
▸ STAT3 P40763 1/20 0.51
▸ AAK1 Q2M2I8 1/20 0.51
▸ RPS6KA5 O75582 2/20 0.49
▸ MAP4K4 O95819 2/20 0.49
▸ CDK1 P06493 2/20 0.49
▸ PRKACA P17612 2/20 0.49
▸ RPS6KB1 P23443 2/20 0.49
▸ CDK2 P24941 2/20 0.49

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
SCHEMBL4529522 1.00 ROCK2 (0.58) ROCK2ROCK1SMN1; SMN2LMNAHTT
SCHEMBL27723709 1.00 ROCK2 (0.58) ROCK2ROCK1SMN1; SMN2LMNAHTT
SCHEMBL29521435 0.91 LMNA (0.63) ROCK2SMN1; SMN2LMNAHTTPOLB
SCHEMBL11588542 0.85 POLB (0.62) SMN1; SMN2LMNAHTTPOLBMAPK1
SCHEMBL27744413 0.84 ROCK2 (0.62) ROCK2ROCK1SMN1; SMN2LMNAHTT
SCHEMBL4527170 0.84 ROCK2 (0.62) ROCK2ROCK1SMN1; SMN2LMNAHTT
SCHEMBL4531698 0.84 ROCK2 (0.62) ROCK2ROCK1SMN1; SMN2LMNAHTT
SCHEMBL4516232 0.83 AAK1 (0.53) ROCK2ROCK1SMN1; SMN2LMNAHTT
SCHEMBL29521360 0.82 POLB (0.68) SMN1; SMN2LMNAHTTPOLBMAPK1
SCHEMBL19954280 0.82 POLB (0.68) SMN1; SMN2LMNAHTTPOLBMAPK1

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 1/4885SMN1; SMN2 3046/4885

“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.