Sugi Predict

Sugi Predict / Compounds / SCHEMBL12833859

SCHEMBL12833859

SCHEMBL12833859

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)N[C@@H](CO)Cc4ccccc4)ccc3[nH]2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 8/20 0.48
▸ ROCK1 Q13464 7/20 0.48
▸ PDE10A Q9Y233 5/20 0.47
▸ RPS6KA5 O75582 2/20 0.45
▸ RPS6KA4 O75676 2/20 0.45
▸ PRKACA P17612 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ GSK3B P49841 2/20 0.45
▸ PRKX P51817 2/20 0.45
▸ PRKG1 Q13976 2/20 0.45
▸ CLK4 Q9HAZ1 2/20 0.45
▸ GSK3A P49840 1/20 0.45
▸ IRAK1 P51617 1/20 0.45
▸ PKN2 Q16513 1/20 0.45
▸ SGK2 Q9HBY8 1/20 0.45
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL12834422 0.91 HDAC6 (0.44) ROCK2ROCK1PDE10AHDAC3HDAC1
SCHEMBL12834509 0.91 HDAC6 (0.44) ROCK2ROCK1PDE10AHDAC3HDAC1
SCHEMBL12834063 0.89 HDAC6 (0.40) ROCK2ROCK1PDE10AGSK3BHDAC3
SCHEMBL12834103 0.89 HDAC6 (0.40) ROCK2ROCK1PDE10AGSK3BHDAC3
SCHEMBL12833979 0.89 HDAC6 (0.44) PDE10AHDAC3HDAC1HDAC2HDAC8
SCHEMBL12833860 0.88 HDAC6 (0.42) PDE10AHDAC3HDAC1HDAC2HDAC8
SCHEMBL12834271 0.88 HDAC6 (0.46) PDE10AHDAC3HDAC1HDAC2HDAC8
SCHEMBL12833858 0.88 SMN1; SMN2 (0.48) ROCK2ROCK1RPS6KA5PRKACAMAPK1
SCHEMBL14090572 0.87 HDAC6 (0.47) PDE10AHDAC3HDAC1HDAC2HDAC8
SCHEMBL12834457 0.87 HDAC6 (0.47) PDE10AHDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
EP-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 — — EP disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — US disclosed
WO-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 — — 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 ROCK2 1535/4885ROCK1 1478/4885PDE10A 2478/4885

“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.