SCHEMBL5765353

SCHEMBL5765353

COc1nc(NCCC#N)nc(OC)c1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
GAA P10253 3/20 0.38
ALDH1A1 P00352 3/20 0.38
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PLAU P00749 2/20 0.36
SYK P43405 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.30
MAPT P10636 1/20 0.30
SQOR Q9Y6N5 1/20 0.30

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
SCHEMBL4235972 0.80 GAA (0.42) GAAALDH1A1PLAUPDE4APDE4B
SCHEMBL13752439 0.75 GAA (0.39) GAAALDH1A1PDE4APDE4BPDE4C
SCHEMBL4227995 0.74 ALDH1A1 (0.38) POLBGAAALDH1A1KMT2AMAPT
Acetic Acid SCHEMBL6667848 0.73 KDM1A (0.41) POLBALDH1A1KMT2AMAPT
SCHEMBL5765616 0.73 POLB (0.49) POLBGAAALDH1A1PDE4APDE4B
SCHEMBL4685915 0.72 GSK3A (0.37) POLBGAAALDH1A1KMT2AMAPT
SCHEMBL9388486 0.70 THRB (0.43) GAAALDH1A1PLAUTHRB
SCHEMBL6639435 0.66 POLB (0.51) POLBGAAKMT2ASQOR
SCHEMBL8365502 0.66 CA1 (0.39) GAAALDH1A1PLAUTHRB
SCHEMBL5765632 0.65 MAPK8 (0.47) POLBGAASYKMAPK8MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1334972-B1 Non-peptide compounds affecting the action of gonadotropin-releasing hormone (GnRH) PFIZER (US) 2006-04-19 EP disclosed
US-6833372-B2 A hormone inhibitors of gonadotropin releasing hormone, an antigonadotropins, new drug compound contains a furanyl 2-carboxylic acid -(2,4-dimethoxy-pyrimidin-5-yl)-amide groups PFIZER, INC. 2004-12-21 US disclosed
US-20040053951-A1 Non-peptide GnRH agents, pharmaceutical compositions, and methods for their use PFIZER INC. 2004-03-18 US disclosed
WO-2003068769-A1 NON-PEPTIDE COMPOUNDS AFFECTING THE ACTION OF GONADOTROPIN-RELEASING HORMONE (GNRH) PFIZER INC. (US) 2003-08-21 WO disclosed
EP-1334972-A1 Non-peptide compounds affecting the action of gonadotropin-releasing hormone (GnRH) PFIZER INC. (US) 2003-08-13 EP 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-20040053951-A1 Non-peptide GnRH agents, pharmaceutical compositions, and methods for their use GNRHR, LHCGR, FSHR POLB 3980/4885GAA 1843/4885ALDH1A1 4860/4885

“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.