SCHEMBL695596

SCHEMBL695596

O=C(Nc1ccn(Cc2ccc(OP(=O)(OCc3ccccc3)OCc3ccccc3)cc2C(F)(F)F)n1)c1c(F)cccc1F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.68
ORAI1 Q96D31 2/20 0.68
ORAI3 Q9BRQ5 1/20 0.68
SMN1; SMN2 Q16637 9/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
LMNA P02545 5/20 0.51
ALDH1A1 P00352 4/20 0.51
NPSR1 Q6W5P4 4/20 0.51
STAT3 P40763 2/20 0.51
HPGD P15428 2/20 0.51
HTT P42858 2/20 0.51
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
MAPT P10636 2/20 0.47
PTGER1 P34995 3/20 0.45
CACNA1G O43497 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42

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
SCHEMBL30096587 0.90 STIM1 (0.73) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL757315 0.90 STIM1 (0.73) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL695576 0.86 STIM1 (0.75) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL696218 0.86 STIM1 (0.73) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL696220 0.86 STIM1 (0.73) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL755388 0.86 STIM1 (0.73) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL758944 0.84 STIM1 (0.76) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL10241254 0.84 STIM1 (0.70) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL696026 0.84 STIM1 (0.79) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL3063316 0.83 STIM1 (0.72) STIM1ORAI1ORAI3SMN1; SMN2NPC1

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 11 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
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 STIM1 33/4885ORAI1 1/4885ORAI3 25/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 STIM1 2564/4885ORAI1 3127/4885ORAI3 2440/4885

“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.