SCHEMBL755899

SCHEMBL755899

Cc1ccccc1C(=O)Nc1ccn(Cc2c(F)cccc2C(F)(F)F)n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.74
ORAI1 Q96D31 2/20 0.74
EGFR P00533 1/20 0.56
ORAI3 Q9BRQ5 1/20 0.52
RIPK1 Q13546 3/20 0.46
MAPT P10636 3/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
APP P05067 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
SNCA P37840 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
SCHEMBL759169 0.92 STIM1 (0.80) STIM1ORAI1EGFRORAI3RIPK1
SCHEMBL756222 0.89 STIM1 (0.58) STIM1ORAI1EGFRORAI3RIPK1
SCHEMBL757813 0.88 STIM1 (0.74) STIM1ORAI1EGFRORAI3RIPK1
SCHEMBL696244 0.85 STIM1 (0.80) STIM1ORAI1EGFRORAI3MAPT
SCHEMBL759098 0.85 NPSR1 (0.54) STIM1ORAI1ORAI3RIPK1MAPT
SCHEMBL30096538 0.85 STIM1 (1.00) STIM1ORAI1EGFRORAI3MAPT
SCHEMBL715052 0.85 STIM1 (1.00) STIM1ORAI1EGFRORAI3MAPT
SCHEMBL758373 0.84 STIM1 (0.68) STIM1ORAI1EGFRORAI3MAPT
SCHEMBL756322 0.82 STIM1 (0.86) STIM1ORAI1EGFRORAI3MAPT
SCHEMBL757149 0.81 STIM1 (0.62) STIM1ORAI1EGFRORAI3RIPK1

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 8 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-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 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.