SCHEMBL1630989

SCHEMBL1630989

O=C(NC[C@@H]1CCNC1)c1ccc(-c2ccccc2)nc1NCCc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PBK Q96KB5 4/20 0.44
NAMPT P43490 1/20 0.42
CHEK1 O14757 2/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 1/20 0.41
ACP1 P24666 1/20 0.40
CHRM1 P11229 4/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM3 P20309 1/20 0.40
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
TYRO3 Q06418 1/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL1629596 1.00 PBK (0.44) PBKNAMPTCHEK1KDM4EHPGD
SCHEMBL12724230 0.95 CHRM1 (0.45) PBKNAMPTKDM4EHPGDACP1
SCHEMBL1632058 0.83 HTR4 (0.43) NAMPTKDM4EHPGDHIF1AALDH1A1
SCHEMBL1629943 0.82 HTR2A (0.42) NAMPTKDM4EHPGDALDH1A1LMNA
SCHEMBL1630900 0.82 HTR2A (0.42) NAMPTKDM4EHPGDALDH1A1LMNA
SCHEMBL12724210 0.81 LMNA (0.59) NAMPTKDM4EHPGDHIF1AALDH1A1
SCHEMBL1629532 0.81 ALDH1A1 (0.54) KDM4EHPGDALDH1A1LMNANPC1
SCHEMBL1630302 0.81 ALDH1A1 (0.54) KDM4EHPGDALDH1A1LMNANPC1
SCHEMBL1631243 0.80 KDM4E (0.44) KDM4EHPGDALDH1A1LMNA
SCHEMBL12724249 0.80 KDM4E (0.52) KDM4EHPGDHIF1AALDH1A1LMNA

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 8 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-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US disclosed
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
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 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 PBK 4841/4885NAMPT 2803/4885CHEK1 2017/4885

“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.