SCHEMBL584666

SCHEMBL584666

COCc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CHRM2 P08172 1/20 0.35
TSHR P16473 1/20 0.35
ADRA1A P35348 1/20 0.34
POLB P06746 1/20 0.34
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
LMNA P02545 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL22832794 0.84 KMT2A (0.40) KMT2AMEN1CYP11B1CYP11B2TDP1
SCHEMBL8188378 0.82 KMT2A (0.46) KMT2AMEN1CYP11B1CYP11B2L3MBTL1
SCHEMBL2852162 0.81 KMT2A (0.40) KMT2AMEN1CYP11B1CYP11B2CHRM2
SCHEMBL8806580 0.79 KMT2A (0.44) KMT2AMEN1CYP11B1CYP11B2LMNA
SCHEMBL1845371 0.79 KMT2A (0.43) KMT2AMEN1CYP11B1CYP11B2TDP1
SCHEMBL6948425 0.79 KMT2A (0.43) KMT2AMEN1CYP11B1CYP11B2TDP1
SCHEMBL647893 0.79 KMT2A (0.46) KMT2AMEN1CYP11B1CYP11B2TDP1
SCHEMBL5327785 0.79 KMT2A (0.43) KMT2AMEN1CYP11B1CYP11B2TDP1
SCHEMBL6467815 0.79 KMT2A (0.43) KMT2AMEN1CYP11B1CYP11B2TDP1
SCHEMBL8806973 0.77 KMT2A (0.42) KMT2AMEN1CYP11B1CYP11B2POLB

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
CN-101568542-B 5,6,7,8-tetrahydro-imidazo[1,5-a]pyrazine derivatives ACTELION PHARMACEUTICALS LTD 2013-03-27 CN disclosed
US-8188082-B2 5,6,7,8-tetrahydro-imidazo[1,5-α]pyrazine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-29 US disclosed
EP-2125823-B1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-15 EP disclosed
US-20100093740-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-04-15 US disclosed
EP-2125823-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 EP disclosed
CN-101568542-A 5,6,7,8-tetrahydro-imidazo[1,5-a]pyrazine derivatives ACTELION PHARMACEUTICALS LTD (CH) 2009-10-28 CN disclosed
WO-2008078291-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-03 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-20100093740-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES HCRTR1, HCRTR2, NPY5R KMT2A 1613/4885MEN1 1568/4885CYP11B1 336/4885

“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.