SCHEMBL4233283

SCHEMBL4233283

COc1nc(NCCNC(C)C)nc(OC)c1NC(=O)c1csc(Oc2cc(C(C)(C)C)ccc2Cl)n1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
ABCB1 P08183 2/20 0.32
IRAK4 Q9NWZ3 4/20 0.32
ALDH1A1 P00352 3/20 0.31
MAPT P10636 3/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
RECQL P46063 1/20 0.31
LMNA P02545 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31
EHMT2 Q96KQ7 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
SYK P43405 1/20 0.30
IRAK1 P51617 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
SCHEMBL4237858 0.94 MEN1 (0.35) GNRHRMEN1KMT2AHTTABCB1
SCHEMBL4228389 0.93 GNRHR (0.35) GNRHRMEN1KMT2AHTTABCB1
SCHEMBL4228417 0.92 CYP1A2 (0.32) GNRHRMEN1KMT2AHTTABCB1
SCHEMBL14621906 0.92 ABCB1 (0.32) GNRHRMEN1KMT2AHTTABCB1
SCHEMBL4236235 0.90 GNRHR (0.32) GNRHRMEN1KMT2AHTTABCB1
SCHEMBL4237186 0.88 GNRHR (0.35) GNRHRMEN1KMT2AHTTABCB1
SCHEMBL4237638 0.88 GNRHR (0.34) GNRHRABCB1EHMT2
SCHEMBL4233113 0.87 ACHE (0.32) ABCB1
SCHEMBL4621356 0.86 CYP1A2 (0.33) GNRHRMEN1KMT2AHTTABCB1
SCHEMBL4233025 0.85 IRAK4 (0.34) GNRHRHTTIRAK4ALDH1A1MAPT

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 claimed
US-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists TAKEDA CAMBRIDGE LIMITED (GB) 2009-08-20 US disclosed
US-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists TAKEDA CAMBRIDGE LIMITED (GB) 2009-08-20 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 (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 GNRHR 1/4885MEN1 1007/4885KMT2A 1474/4885

“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.