SCHEMBL383558

SCHEMBL383558

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.36
AMY1A P0DUB6 6/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
PDE10A Q9Y233 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HSP90AA1 P07900 1/20 0.33
P2RY6 Q15077 1/20 0.32
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32

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
SCHEMBL383397 0.86 HSP90AA1 (0.45) AMY1APTGDR2KDM4EALDH1A1HPGD
SCHEMBL461325 0.83 HSP90AA1 (0.49) AMY1APDE10AHSP90AA1
SCHEMBL461324 0.83 HSP90AA1 (0.49) AMY1APDE10AHSP90AA1
SCHEMBL418796 0.79 HSP90AA1 (0.53) ARHSP90AA1
SCHEMBL461821 0.75 HSP90AA1 (0.42) AMY1AHSP90AA1
SCHEMBL461822 0.75 HSP90AA1 (0.42) AMY1AHSP90AA1
SCHEMBL1395173 0.75 AR (0.46) ARCYP19A1CYP2C9CYP11B1CYP11B2
SCHEMBL1394917 0.75 AR (0.40) ARKDM4EALDH1A1CYP19A1CYP2C9
SCHEMBL1394663 0.73 AR (0.44) ARKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2182935 0.72 AMY1A (0.32) AMY1APDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 AR 486/4885AMY1A 4543/4885PTGDR2 744/4885

“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.