Sugi Predict

Sugi Predict / Compounds / SCHEMBL2182391

SCHEMBL2182391

SCHEMBL2182391

N#Cc1ccccc1-n1c2ccccc2c2c(-c3cnc4ccccc4c3)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 2/20 0.40
▸ PDGFRA P16234 2/20 0.40
▸ RPS6KB1 P23443 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ BIRC5 O15392 1/20 0.36
▸ MAT2A P31153 1/20 0.35
▸ TOP2A P11388 1/20 0.35
▸ TOP2B Q02880 1/20 0.35
▸ KDM1A O60341 1/20 0.34
▸ PTGES O14684 1/20 0.34
▸ PIK3CD O00329 2/20 0.34
▸ PIK3CA P42336 2/20 0.34
▸ PIK3CB P42338 2/20 0.34
▸ MTOR P42345 2/20 0.34
▸ PIK3CG P48736 2/20 0.34
▸ PRKDC P78527 2/20 0.34
▸ ATM Q13315 2/20 0.34
▸ ATR Q13535 2/20 0.34
▸ SERPINA2 P20848 1/20 0.34
▸ ATRIP Q8WXE1 1/20 0.34

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
SCHEMBL2183658 0.92 PDGFRB (0.38) PDGFRBPDGFRABIRC5TOP2ATOP2B
SCHEMBL2183791 0.85 POLB (0.40) PDGFRBPDGFRAATMATRATRIP
SCHEMBL3433972 0.85 PDGFRB (0.38) PDGFRBPDGFRABIRC5TOP2ATOP2B
SCHEMBL2181737 0.83 CYP11B1 (0.42) PDGFRBPDGFRAPIK3CDPIK3CAPIK3CB
SCHEMBL2183119 0.83 BIRC5 (0.37) PDGFRBPDGFRABIRC5TOP2ATOP2B
SCHEMBL2181396 0.83 MEN1 (0.35) PDGFRBPDGFRAHSP90AA1
SCHEMBL2185300 0.83 HSP90AA1 (0.34) PDGFRBPDGFRAMTORHSP90AA1LRRK2
SCHEMBL2185381 0.83 MTOR (0.36) MTORHSP90AA1
SCHEMBL20780357 0.80 IMPDH2 (0.39) RPS6KB1ROCK1MAT2A
SCHEMBL28798148 0.79 HSP90AA1 (0.47) PDGFRBPDGFRABIRC5HSP90AA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309721-B2 HSP90 inhibitory carbazole derivatives, compositions containing same and use thereof SANOFI (FR) 2012-11-13 — — US disclosed
US-20110166169-A1 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI-AVENTIS (FR) 2011-07-07 — — US disclosed
CN-102026992-A Novel HSP90 inhibitory carbazole derivatives, compositions containing the same and uses thereof SANOFI AVENTIS 2011-04-20 — — CN disclosed
EP-2265598-A2 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME, AND USE THEREOF Sanofi-Aventis (FR) 2010-12-29 — — EP disclosed
WO-2009122034-A2 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI-AVENTIS (FR) 2009-10-08 — — 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-20110166169-A1 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF HSP90AB2P, HSP90AB1, HSP90AA1 PDGFRB 1160/4885PDGFRA 1401/4885RPS6KB1 655/4885

“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.