SCHEMBL1632002

SCHEMBL1632002

NC(=O)C(c1cc[nH]n1)c1ccc(-c2ccccc2)nc1NCCc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.41
AURKA O14965 1/20 0.37
GBA1 P04062 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
NPY1R P25929 1/20 0.37
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
ACP1 P24666 1/20 0.35
KMT2A Q03164 3/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
JAK3 P52333 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PGK1 P00558 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
HPGD P15428 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
SCHEMBL1632723 0.89 HIF1A (0.44) HIF1AAURKAGBA1ALDH1A1KDM4E
SCHEMBL1631017 0.83 HIF1A (0.43) HIF1AAURKAGBA1KDM4EMAPT
SCHEMBL1632844 0.82 HIF1A (0.42) HIF1AAURKAGBA1ALDH1A1KDM4E
SCHEMBL1630889 0.81 HIF1A (0.41) HIF1AAURKAGBA1ALDH1A1KDM4E
SCHEMBL1630995 0.81 GBA1 (0.48) HIF1AAURKAGBA1ALDH1A1KDM4E
SCHEMBL1629690 0.76 NAMPT (0.42) HIF1AAURKAGBA1ALDH1A1KDM4E
SCHEMBL1632189 0.76 GBA1 (0.42) HIF1AGBA1ALDH1A1KDM4EMAPT
SCHEMBL1631004 0.75 GBA1 (0.43) HIF1AGBA1JAK3SMN1; SMN2HTT
SCHEMBL1631717 0.75 KDM4E (0.42) HIF1AGBA1ALDH1A1KDM4ERAB9A
SCHEMBL1631445 0.75 GBA1 (0.41) HIF1AGBA1ALDH1A1KDM4EMAPT

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 3497/4885AURKA 1802/4885GBA1 4031/4885

“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.