SCHEMBL5765637

SCHEMBL5765637

COc1nc(Nc2ccccc2)nc(OC)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 3/20 0.52
MEN1 O00255 3/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 2/20 0.49
KCNH3 Q9ULD8 5/20 0.49
NFKB1 P19838 2/20 0.47
MAPK1 P28482 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
NPY5R Q15761 1/20 0.47

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
SCHEMBL5765632 0.79 MAPK8 (0.47) GAAKMT2AMAPTMEN1KDM4E
SCHEMBL16485140 0.78 DHFR (0.61) MAPTALDH1A1TP53BCL6DHFR
SCHEMBL4317620 0.76 ALDH1A1 (0.57) GAAKMT2AMAPTMEN1KDM4E
SCHEMBL10975566 0.76 ADORA2A (0.58) GAAKMT2AMAPTMEN1ALDH1A1
SCHEMBL14354708 0.76 ALDH1A1 (0.59) GAAKMT2AMAPTMEN1KDM4E
SCHEMBL10073747 0.74 KCNH3 (0.77) GAAKMT2AMAPTMEN1KDM4E
SCHEMBL1927913 0.74 VSIR (0.61) GAAKMT2AMAPTMEN1KDM4E
SCHEMBL10099686 0.74 KCNH3 (0.77) GAAKMT2AMAPTMEN1KDM4E
SCHEMBL13310454 0.73 IGF1R (0.62)
SCHEMBL11696363 0.73 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1TSHRTAAR1

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 GAA 1843/4885KMT2A 3602/4885MAPT 4688/4885

“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.