SCHEMBL4236235

SCHEMBL4236235

COc1nc(NCCNC(C)C)nc(OC)c1NC(=O)c1csc(Oc2cc(C(C)(C)C)ccc2C#N)n1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.32
CACNA1H O95180 2/20 0.32
IDH1 O75874 1/20 0.32
EHMT2 Q96KQ7 1/20 0.31
ABCB1 P08183 1/20 0.30
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 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
SCHEMBL4787206 0.92 ABCB1 (0.30) ABCB1
SCHEMBL13743290 0.91 CACNA1H (0.32) GNRHRCACNA1HIDH1ABCB1
SCHEMBL4237858 0.90 MEN1 (0.35) GNRHREHMT2ABCB1MEN1HTT
SCHEMBL4233283 0.90 GNRHR (0.32) GNRHREHMT2ABCB1MEN1HTT
SCHEMBL4228389 0.89 GNRHR (0.35) GNRHREHMT2ABCB1MEN1HTT
SCHEMBL14621906 0.89 ABCB1 (0.32) GNRHREHMT2ABCB1MEN1HTT
SCHEMBL4228417 0.89 CYP1A2 (0.32) GNRHREHMT2ABCB1MEN1HTT
SCHEMBL4233310 0.88 CACNA1H (0.30) CACNA1HIDH1
SCHEMBL4238561 0.87 ABCB1 (0.32) CACNA1HABCB1
SCHEMBL4237186 0.85 GNRHR (0.35) GNRHRABCB1MEN1HTTKMT2A

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 7 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
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
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 GNRHR 1/4885CACNA1H 3657/4885IDH1 2570/4885

“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.