SCHEMBL2182950

SCHEMBL2182950

COCCCOc1cc(-n2c3ccccc3c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)ccc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 8/20 0.41
HDAC6 Q9UBN7 1/20 0.34
PDE10A Q9Y233 1/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
CBFB Q13951 1/20 0.33
AR P10275 1/20 0.33
KDR P35968 2/20 0.33
MET P08581 1/20 0.33
PDE5A O76074 1/20 0.33
SRC P12931 1/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
PLAT P00750 1/20 0.32
PRSS1 P07477 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 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
SCHEMBL2180286 0.85 AMY1A (0.40) AMY1AHDAC6F2F10PLG
SCHEMBL2181916 0.84 AMY1A (0.40) AMY1APDE10AMETAP2METAP1CBFB
SCHEMBL2182943 0.82 AMY1A (0.39) AMY1APDE10AMETAP2METAP1CBFB
SCHEMBL2202656 0.77 KDR (0.33) AMY1APDE10AMETAP2METAP1CBFB
SCHEMBL2202654 0.77 AMY1A (0.35) AMY1APDE10AMETAP2METAP1CBFB
SCHEMBL2182172 0.77 AMY1A (0.38) AMY1AHDAC6LMNA
SCHEMBL2181661 0.76 HSP90AA1 (0.36) AMY1AKDRLMNA
SCHEMBL2182153 0.75 NPY5R (0.36) AMY1AHDAC6PDE10AAR
SCHEMBL2182157 0.75 NPY5R (0.36) AMY1AHDAC6PDE10AAR
SCHEMBL2182935 0.75 AMY1A (0.32) AMY1APDE10AKDR

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 2 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

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 AMY1A 3371/4885HDAC6 183/4885PDE10A 3590/4885

“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.