SCHEMBL756420

SCHEMBL756420

COc1ccc(Cn2ccc(N)n2)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KLKB1 P03952 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL694971 0.80 ALDH1A1 (0.48) MEN1KMT2AALDH1A1L3MBTL1TDP1
SCHEMBL695020 0.80 ALDH1A1 (0.48) MEN1KMT2AALDH1A1L3MBTL1TDP1
SCHEMBL3440019 0.76 ALDH1A1 (0.65) MEN1KMT2AALDH1A1L3MBTL1TDP1
SCHEMBL696551 0.75 EPHX2 (0.45) EPHX2MEN1KMT2AALDH1A1KLKB1
SCHEMBL17316288 0.74 ALDH1A1 (0.49) MEN1KMT2AALDH1A1L3MBTL1TDP1
SCHEMBL696552 0.73 SMN1; SMN2 (0.53) EPHX2ALDH1A1KLKB1
SCHEMBL166508 0.73 ALDH1A1 (0.53) MEN1KMT2AALDH1A1L3MBTL1TDP1
SCHEMBL3440022 0.73 ALDH1A1 (0.49) MEN1KMT2AALDH1A1L3MBTL1TDP1
SCHEMBL3440024 0.73 L3MBTL1 (0.54) MEN1KMT2AALDH1A1L3MBTL1TDP1
SCHEMBL2260460 0.73 EPHX2 (0.54) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
WO-2010122089-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 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 (2 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-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS ORAI1, TRPV1, CACNA1E EPHX2 2424/4885MEN1 2873/4885KMT2A 3401/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 EPHX2 367/4885MEN1 3849/4885KMT2A 1734/4885

“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.