SCHEMBL5496539

SCHEMBL5496539

CCCCCNc1cc(Cl)ncc1C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.47
PDE4B Q07343 1/20 0.47
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
CISD1 Q9NZ45 6/20 0.43
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL15584189 0.91 KDM4E (0.44) PDE5APDE4BADORA1KDM4EMEN1
SCHEMBL28542154 0.87 CYP1A2 (0.54) PDE5APDE4BKDM4EMEN1KMT2A
SCHEMBL4277553 0.85 ALDH1A1 (0.45) KDM4EMEN1KMT2AGAARAB9A
SCHEMBL23884986 0.85 ALDH1A1 (0.55) ADORA3ADORA2AADORA1KDM4EMEN1
SCHEMBL16873158 0.83 KDM4E (0.43) PDE5AKDM4EMEN1KMT2AGAA
SCHEMBL30365362 0.82 ATM (0.50) KDM4EMEN1KMT2AMAPK1
SCHEMBL25162606 0.82 ATM (0.50) KDM4EMEN1KMT2AMAPK1
SCHEMBL25162497 0.82 ATM (0.50) KDM4EMEN1KMT2AMAPK1ALDH1A1
SCHEMBL30341786 0.81 ALDH1A1 (0.46) KDM4EMEN1KMT2AGAANPC1
SCHEMBL502657 0.81 ALDH1A1 (0.46) KDM4EMEN1KMT2AGAANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070299103-A1 [1,2,4]Triazolo[4,3-A]Pyridine Derivatives for the Treatment of Hyperproliferative Diseases MERCK SERONO SA (CH) 2007-12-27 US disclosed
US-20070293544-A1 Novel 4-Arylamino Pyridone Derivatives as Mek Inhibitors for the Treatment of Hyper-Proliferative Disorders MERCK SERONO SA (CH) 2007-12-20 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 (2 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-20070299103-A1 [1,2,4]Triazolo[4,3-A]Pyridine Derivatives for the Treatment of Hyperproliferative Diseases CDK4, CDK3, BRAF PDE5A 1809/4885PDE4B 1153/4885ADORA3 1385/4885
US-20070293544-A1 Novel 4-Arylamino Pyridone Derivatives as Mek Inhibitors for the Treatment of Hyper-Proliferative Disorders BRAF, MAP3K19, MAPK1 PDE5A 1890/4885PDE4B 1374/4885ADORA3 1915/4885

“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.