SCHEMBL1631017

SCHEMBL1631017

NC(=O)C(c1ccncc1)c1ccc(-c2ccccc2)nc1NCCc1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.43
GBA1 P04062 1/20 0.41
NPY1R P25929 1/20 0.41
PDE10A Q9Y233 1/20 0.40
AURKA O14965 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 1/20 0.37
JAK3 P52333 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2A1 P68400 1/20 0.36
GPR142 Q7Z601 1/20 0.36
ROCK2 O75116 1/20 0.36

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
SCHEMBL1630995 0.90 GBA1 (0.48) HIF1AGBA1NPY1RPDE10AAURKA
SCHEMBL1632723 0.88 HIF1A (0.44) HIF1AGBA1NPY1RAURKAMKNK1
SCHEMBL1630889 0.88 HIF1A (0.41) HIF1AGBA1NPY1RPDE10AAURKA
SCHEMBL1632844 0.87 HIF1A (0.42) HIF1AGBA1NPY1RPDE10AAURKA
SCHEMBL1632189 0.84 GBA1 (0.42) HIF1AGBA1NPY1RPDE10AKMT2A
SCHEMBL1630629 0.83 GBA1 (0.40) HIF1AGBA1KMT2AJAK3
SCHEMBL1632002 0.83 HIF1A (0.41) HIF1AGBA1NPY1RAURKAMKNK1
SCHEMBL1631717 0.83 KDM4E (0.42) HIF1AGBA1NPC1RAB9ACYP1A2
SCHEMBL1631004 0.83 GBA1 (0.43) HIF1AGBA1PDE10AJAK3
SCHEMBL1631445 0.83 GBA1 (0.41) HIF1AGBA1ADORA2AADORA1KMT2A

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
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
WO-2008016643-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 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-20090012126-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 HIF1A 3497/4885GBA1 4031/4885NPY1R 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.