SCHEMBL699641

SCHEMBL699641

O=C(Nc1ccn(Cc2c(O)cccc2Cl)n1)c1c(F)cccc1F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.65
ORAI1 Q96D31 2/20 0.65
EGFR P00533 1/20 0.61
ORAI3 Q9BRQ5 1/20 0.57
SMN1; SMN2 Q16637 7/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
LMNA P02545 5/20 0.48
NPSR1 Q6W5P4 5/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 4/20 0.48
STAT3 P40763 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 2/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL755509 0.93 STIM1 (0.70) STIM1ORAI1EGFRORAI3SMN1; SMN2
SCHEMBL760784 0.92 STIM1 (0.72) STIM1ORAI1EGFRORAI3SMN1; SMN2
SCHEMBL30096519 0.88 STIM1 (0.64) STIM1ORAI1EGFRORAI3SMN1; SMN2
SCHEMBL765197 0.88 STIM1 (0.64) STIM1ORAI1EGFRORAI3SMN1; SMN2
SCHEMBL10241263 0.88 EGFR (0.66) STIM1ORAI1EGFRORAI3SMN1; SMN2
SCHEMBL758374 0.86 STIM1 (0.84) STIM1ORAI1EGFRORAI3SMN1; SMN2
SCHEMBL757540 0.85 STIM1 (0.60) STIM1ORAI1EGFRORAI3SMN1; SMN2
SCHEMBL761263 0.83 STIM1 (0.58) STIM1ORAI1EGFRORAI3SMN1; SMN2
SCHEMBL759238 0.83 STIM1 (0.59) STIM1ORAI1EGFRORAI3SMN1; SMN2
SCHEMBL759248 0.83 STIM1 (0.66) STIM1ORAI1EGFRORAI3SMN1; SMN2

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 STIM1 33/4885ORAI1 1/4885EGFR 4607/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 STIM1 2564/4885ORAI1 3127/4885EGFR 3784/4885

“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.