SCHEMBL1629690

SCHEMBL1629690

NC(=O)C(c1ccc(-c2ccccc2)nc1NCCc1ccccn1)C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.42
HIF1A Q16665 1/20 0.40
TLR9 Q9NR96 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
AURKA O14965 1/20 0.36
GBA1 P04062 1/20 0.36
PDE10A Q9Y233 2/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
OGA O60502 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
JAK3 P52333 1/20 0.34
VCP P55072 1/20 0.34
HPGD P15428 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
SCHEMBL1632723 0.79 HIF1A (0.44) HIF1AALDH1A1KDM4EMAPTAURKA
SCHEMBL12724230 0.78 CHRM1 (0.45) NAMPTHIF1AALDH1A1KDM4ELMNA
SCHEMBL1631017 0.77 HIF1A (0.43) HIF1AKDM4EMAPTAURKAGBA1
SCHEMBL1632002 0.76 HIF1A (0.41) HIF1AALDH1A1KDM4EMAPTAURKA
SCHEMBL1632844 0.76 HIF1A (0.42) HIF1AALDH1A1KDM4EMAPTAURKA
SCHEMBL1630889 0.75 HIF1A (0.41) HIF1ATLR9ALDH1A1KDM4EMAPT
SCHEMBL1630995 0.75 GBA1 (0.48) HIF1AALDH1A1KDM4ELMNAMAPT
SCHEMBL1630989 0.75 PBK (0.44) NAMPTHIF1AALDH1A1KDM4ELMNA
SCHEMBL1629596 0.75 PBK (0.44) NAMPTHIF1AALDH1A1KDM4ELMNA
SCHEMBL1629687 0.72 HIF1A (0.40) NAMPTHIF1ATLR9ALDH1A1KDM4E

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
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US claimed
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US disclosed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 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-20090012126-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 NAMPT 2803/4885HIF1A 3497/4885TLR9 4759/4885

“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.