SCHEMBL4226565

SCHEMBL4226565

CCOC(=O)c1nnc(Br)n1C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.39
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
CYP1A2 P05177 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.36
PDE4D Q08499 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL9864614 0.76 KMT2A (0.40) KMT2AUSP2MAPTCYP1A2ALDH1A1
SCHEMBL2028506 0.74 KMT2A (0.44) KMT2AUSP2MAPTGAAPKM
SCHEMBL2029380 0.74 HTT (0.41) KMT2AUSP2MAPTGAAPKM
SCHEMBL4032310 0.72 PKM (0.40) KMT2AMAPTGAAPKMCYP1A2
SCHEMBL370542 0.71 MAPK1 (0.49) KMT2AUSP2MAPTGAACYP1A2
SCHEMBL4237820 0.70 CYP1A2 (0.40) KMT2AMAPTCYP1A2ALDH1A1KDM4E
SCHEMBL3369577 0.70 KMT2A (0.44) KMT2AUSP2MAPTGAAPKM
SCHEMBL9881652 0.69 MAPK1 (0.45) KMT2AMAPTGAACYP1A2ALDH1A1
SCHEMBL12381778 0.69 KMT2A (0.46) KMT2AUSP2MAPTGAACYP1A2
SCHEMBL12582170 0.69 CYP1A2 (0.42) MAPTGAAPKMCYP1A2ALDH1A1

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
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 KMT2A 1474/4885USP2 3167/4885MAPT 4754/4885

“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.