SCHEMBL425541

SCHEMBL425541

Cc1nn(-c2ccc(C#N)c(Br)c2)c2cccc(-c3cnc4ccccc4c3)c12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 14/20 0.51
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
BIRC5 O15392 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
PDE10A Q9Y233 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
SCHEMBL2692251 0.88 HSP90AA1 (0.53) HSP90AA1
SCHEMBL1394564 0.86 HSP90AA1 (0.46) HSP90AA1NPC1MAPTRAB9ABIRC5
SCHEMBL421583 0.85 HSP90AA1 (0.53) HSP90AA1ALDH1A1NPC1MAPTRAB9A
SCHEMBL28798148 0.84 HSP90AA1 (0.47) HSP90AA1ALDH1A1NPC1MAPTRAB9A
SCHEMBL952602 0.83 HSP90AA1 (0.51) HSP90AA1ALDH1A1NPC1MAPTRAB9A
SCHEMBL949880 0.83 BIRC5 (0.36) HSP90AA1ALDH1A1NPC1MAPTRAB9A
SCHEMBL1394528 0.83 HSP90AA1 (0.52) HSP90AA1
SCHEMBL418796 0.82 HSP90AA1 (0.53) HSP90AA1
SCHEMBL1394538 0.82 HSP90AA1 (0.53) HSP90AA1ALDH1A1KDM4EGAAHPGD
SCHEMBL420055 0.82 HSP90AA1 (0.49) HSP90AA1ALDH1A1NPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102439003-A Indazole derivatives inhibiting HSP90, compositions containing said derivatives and uses thereof SANOFI AVENTIS 2012-05-02 CN disclosed
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
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 3/4885ALDH1A1 2177/4885NPC1 1842/4885

“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.