Sugi Predict

Sugi Predict / Compounds / SCHEMBL383397

SCHEMBL383397

SCHEMBL383397

Cc1nn(-c2ccc(C(N)=O)c(NCC(C)(C)O)c2)c2cccc(-c3nc4ccc(F)cc4[nH]3)c12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 12/20 0.45
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ CHEK2 O96017 3/20 0.36
▸ AMY1A P0DUB6 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NTSR1 P30989 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL2181385 0.86 HSP90AA1 (0.42) HSP90AA1CHEK2AMY1AMAPTKDM4E
SCHEMBL383558 0.86 AR (0.36) HSP90AA1PTGDR2AMY1AKDM4EALDH1A1
SCHEMBL463009 0.83 HSP90AA1 (0.66) HSP90AA1
SCHEMBL463010 0.83 HSP90AA1 (0.66) HSP90AA1
SCHEMBL2183426 0.80 HSP90AA1 (0.37) HSP90AA1CHEK2AMY1AMAPTKDM4E
SCHEMBL12411943 0.80 HSP90AA1 (0.43) HSP90AA1MAPTKDM4EMEN1ALDH1A1
SCHEMBL422765 0.79 HSP90AA1 (0.70) HSP90AA1
SCHEMBL13658333 0.77 CHEK2 (0.36) HSP90AA1CHEK2AMY1AMAPTKDM4E
SCHEMBL13658321 0.76 JAK2 (0.40) HSP90AA1CHEK2AMY1AMAPTKDM4E
SCHEMBL2185332 0.76 HSP90AA1 (0.40) HSP90AA1CHEK2AMY1A

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-20120010241-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI (FR) 2012-01-12 — — US claimed
EP-2408762-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI (FR) 2012-01-25 — — EP disclosed
US-20120010241-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI (FR) 2012-01-12 — — US disclosed
US-20120010241-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI (FR) 2012-01-12 — — US disclosed
US-20120010241-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI (FR) 2012-01-12 — — US disclosed
WO-2010106290-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI-AVENTIS (FR) 2010-09-23 — — WO disclosed
WO-2010106290-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI-AVENTIS (FR) 2010-09-23 — — 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-20120010241-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885PTGDR2 744/4885CHEK2 1650/4885

“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.