SCHEMBL694971

SCHEMBL694971

Nc1ccn(Cc2ccc(I)cc2C(F)(F)F)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.43
TDP1 Q9NUW8 2/20 0.40
STIM1 Q13586 1/20 0.39
ORAI1 Q96D31 1/20 0.39
ORAI3 Q9BRQ5 1/20 0.39
NR1H2 P55055 1/20 0.37
ROCK2 O75116 1/20 0.32
PRKACA P17612 1/20 0.32
RPS6KB1 P23443 1/20 0.32
MAPK1 P28482 1/20 0.32
CLK2 P49760 1/20 0.32
GSK3A P49840 1/20 0.32
CSNK1G2 P78368 1/20 0.32
ROCK1 Q13464 1/20 0.32
DYRK1A Q13627 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
IDO1 P14902 2/20 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
SCHEMBL695020 0.83 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL756420 0.80 EPHX2 (0.45) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL3440019 0.80 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL3440024 0.76 L3MBTL1 (0.54) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL3440022 0.76 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL696212 0.74 STIM1 (0.38) MEN1KMT2ATDP1STIM1ORAI1
SCHEMBL30096575 0.71 STIM1 (0.80) ALDH1A1MEN1KMT2ASTIM1ORAI1
SCHEMBL759168 0.71 STIM1 (0.65) ALDH1A1STIM1ORAI1ORAI3
SCHEMBL705056 0.71 STIM1 (0.80) ALDH1A1MEN1KMT2ASTIM1ORAI1
SCHEMBL17316629 0.70 L3MBTL1 (0.57) ALDH1A1MEN1KMT2AL3MBTL1TDP1

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 12 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
EP-2421835-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS Glaxo Group Limited (GB) 2012-02-29 EP disclosed
WO-2010122089-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 WO 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 ALDH1A1 1857/4885MEN1 2873/4885KMT2A 3401/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 ALDH1A1 447/4885MEN1 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.