SCHEMBL707119

SCHEMBL707119

O=C(Nc1ccn(Cc2c(Cl)cccc2OCc2ccccc2)n1)c1c(F)cccc1F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.65
SMN1; SMN2 Q16637 8/20 0.64
LMNA P02545 6/20 0.64
MAPT P10636 2/20 0.64
ALDH1A1 P00352 5/20 0.64
STAT3 P40763 2/20 0.64
STIM1 Q13586 2/20 0.56
ORAI1 Q96D31 2/20 0.56
PTGER1 P34995 4/20 0.54
EGFR P00533 1/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
HPGD P15428 3/20 0.50
HTT P42858 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL704436 0.87 SMN1; SMN2 (0.65) NPSR1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL757540 0.85 STIM1 (0.60) NPSR1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL756784 0.85 STIM1 (0.56) NPSR1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL755509 0.85 STIM1 (0.70) NPSR1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL756069 0.84 STIM1 (0.55) NPSR1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL760784 0.84 STIM1 (0.72) NPSR1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL761263 0.84 STIM1 (0.58) NPSR1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL757524 0.84 PTGER1 (0.67) NPSR1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL759700 0.84 PTGER1 (0.78) NPSR1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL757179 0.83 PTGER1 (0.75) NPSR1SMN1; SMN2LMNAMAPTALDH1A1

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 NPSR1 1293/4885SMN1; SMN2 2239/4885LMNA 857/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 NPSR1 1288/4885SMN1; SMN2 3063/4885LMNA 4198/4885

“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.