SCHEMBL4237632

SCHEMBL4237632

COc1nc(NCCN(C)C(=O)OC(C)(C)C)nc(OC)c1NC(=O)c1csc(Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.36
GBA1 P04062 1/20 0.35
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
GNRHR P30968 1/20 0.33
ABCB1 P08183 2/20 0.32
RAD52 P43351 1/20 0.31
LMNA P02545 2/20 0.31
KDM1A O60341 1/20 0.31
EHMT2 Q96KQ7 1/20 0.31
RCOR1 Q9UKL0 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDE4B Q07343 1/20 0.31
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31

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
SCHEMBL4233289 0.88 GNRHR (0.35) KCNQ3KCNQ2GNRHRRAD52LMNA
SCHEMBL4237023 0.80 GNRHR (0.32) AAK1GNRHRABCB1RAD52
SCHEMBL4233328 0.80 ABCB1 (0.34) AAK1KCNQ3KCNQ2GNRHRABCB1
SCHEMBL4231655 0.79 ABCB1 (0.32) GNRHRABCB1LMNAMAPTSMN1; SMN2
SCHEMBL4227267 0.79 MAPT (0.34) KCNQ3KCNQ2GNRHRLMNAKDM4E
SCHEMBL4227379 0.77 GNRHR (0.48) GNRHR
SCHEMBL4236090 0.75 AAK1 (0.40) AAK1GBA1KCNQ3KCNQ2RAD52
SCHEMBL4232091 0.74 NLRP3 (0.34) GNRHR
SCHEMBL4236461 0.73 ABCB1 (0.32) ABCB1RAD52MAPT
SCHEMBL4236245 0.72 ABCB1 (0.31) GNRHRABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists TAKEDA CAMBRIDGE LIMITED (GB) 2009-08-20 US disclosed
EP-1896465-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS Takeda Cambridge Limited (GB) 2008-03-12 EP disclosed
WO-2007000582-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2007-01-04 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-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists GNRHR, GHRHR, FSHR AAK1 4572/4885GBA1 4379/4885KCNQ3 2097/4885

“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.