SCHEMBL756419

SCHEMBL756419

O=C(Nc1ccn(Cc2ccc(I)cc2C(F)(F)F)n1)c1c(F)cncc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 3/20 0.67
ORAI1 Q96D31 3/20 0.67
ORAI3 Q9BRQ5 1/20 0.67
SMN1; SMN2 Q16637 8/20 0.40
LMNA P02545 6/20 0.40
HTT P42858 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TSHR P16473 2/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CACNA1G O43497 2/20 0.38
CACNA1H O95180 2/20 0.38
CACNA1I Q9P0X4 2/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 3/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL30096575 0.91 STIM1 (0.80) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL705056 0.91 STIM1 (0.80) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL699419 0.89 STIM1 (0.57) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL757562 0.88 STIM1 (0.67) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL759168 0.85 STIM1 (0.65) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL760185 0.85 STIM1 (0.62) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL758604 0.84 STIM1 (0.64) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL30096550 0.84 STIM1 (0.64) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL30096521 0.83 STIM1 (0.71) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL706288 0.83 STIM1 (0.71) STIM1ORAI1ORAI3SMN1; SMN2LMNA

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 10 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
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.