SCHEMBL695020

SCHEMBL695020

Nc1ccn(Cc2ccc(Cl)cc2C(F)(F)F)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

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 1/20 0.40
STIM1 Q13586 1/20 0.39
ORAI1 Q96D31 1/20 0.39
ORAI3 Q9BRQ5 1/20 0.39
NR1H2 P55055 4/20 0.37
NR1H3 Q13133 3/20 0.37
GPR183 P32249 1/20 0.36
POLQ O75417 1/20 0.36
C5AR1 P21730 2/20 0.35
PTGER1 P34995 1/20 0.34
CCR1 P32246 1/20 0.33
CCR2 P41597 1/20 0.33
CCR4 P51679 1/20 0.33
ESRRA P11474 2/20 0.33

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 0.83 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL694935 0.81 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL756420 0.80 EPHX2 (0.45) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL3440019 0.80 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL3440016 0.78 MEN1 (0.50) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL3440024 0.76 L3MBTL1 (0.54) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL3440022 0.76 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL17316747 0.75 L3MBTL1 (0.52) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL3440026 0.75 TRAP1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL695750 0.74 GRM5 (0.41) MEN1KMT2ASTIM1ORAI1ORAI3

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.