SCHEMBL1630995

SCHEMBL1630995

NC(=O)C(c1cccnc1)c1ccc(-c2ccccc2)nc1NCCc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.48
HIF1A Q16665 1/20 0.41
NPY1R P25929 1/20 0.39
JAK3 P52333 1/20 0.39
AURKA O14965 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
KMT2A Q03164 3/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
PDE10A Q9Y233 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
CYP1A2 P05177 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
SCHEMBL1632189 0.94 GBA1 (0.42) GBA1HIF1ANPY1RJAK3KMT2A
SCHEMBL1631717 0.93 KDM4E (0.42) GBA1HIF1AJAK3RAB9ANPC1
SCHEMBL1631004 0.93 GBA1 (0.43) GBA1HIF1AJAK3PDE10A
SCHEMBL1631445 0.93 GBA1 (0.41) GBA1HIF1AJAK3ADORA2AADORA1
SCHEMBL1632440 0.92 GBA1 (0.41) GBA1HIF1ANPY1RJAK3KMT2A
SCHEMBL1632119 0.92 PIK3CA (0.42) GBA1HIF1ANPY1RJAK3AURKA
SCHEMBL1631490 0.92 GBA1 (0.42) GBA1HIF1AJAK3KMT2ARAB9A
SCHEMBL1630629 0.92 GBA1 (0.40) GBA1HIF1AJAK3KMT2ALMNA
SCHEMBL1629764 0.92 GBA1 (0.40) GBA1HIF1AJAK3KMT2ARAB9A
SCHEMBL1630133 0.91 GBA1 (0.41) GBA1HIF1AJAK3ADORA2AADORA1

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 GBA1 4031/4885HIF1A 3497/4885NPY1R 3688/4885

“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.