SCHEMBL756322

SCHEMBL756322

O=C(Nc1ccn(Cc2c(F)cccc2C(F)(F)F)n1)c1c(Cl)cccc1Cl

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.86
ORAI1 Q96D31 2/20 0.86
ORAI3 Q9BRQ5 1/20 0.60
EGFR P00533 1/20 0.59
SMN1; SMN2 Q16637 5/20 0.47
LMNA P02545 4/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 2/20 0.46
STAT3 P40763 1/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
TYK2 P29597 1/20 0.46
TLR7 Q9NYK1 1/20 0.43
RORC P51449 2/20 0.43
ITGB1 P05556 1/20 0.43
ITGA4 P13612 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
SCHEMBL758374 0.93 STIM1 (0.84) STIM1ORAI1ORAI3EGFRSMN1; SMN2
SCHEMBL30096538 0.92 STIM1 (1.00) STIM1ORAI1ORAI3EGFRSMN1; SMN2
SCHEMBL715052 0.92 STIM1 (1.00) STIM1ORAI1ORAI3EGFRSMN1; SMN2
SCHEMBL760601 0.92 STIM1 (0.72) STIM1ORAI1ORAI3EGFRSMN1; SMN2
SCHEMBL757813 0.91 STIM1 (0.74) STIM1ORAI1ORAI3EGFRSMN1; SMN2
SCHEMBL758373 0.87 STIM1 (0.68) STIM1ORAI1ORAI3EGFRSMN1; SMN2
SCHEMBL696244 0.86 STIM1 (0.80) STIM1ORAI1ORAI3EGFRSMN1; SMN2
SCHEMBL759169 0.86 STIM1 (0.80) STIM1ORAI1ORAI3EGFRSMN1; SMN2
SCHEMBL760784 0.85 STIM1 (0.72) STIM1ORAI1ORAI3EGFRSMN1; SMN2
SCHEMBL757534 0.85 STIM1 (0.62) STIM1ORAI1ORAI3EGFRSMN1; 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 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 1/4885ORAI3 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.