SCHEMBL758378

SCHEMBL758378

O=C(Nc1ccn(Cc2c(Cl)cccc2Cl)n1)c1ccccc1F

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.72
STIM1 Q13586 2/20 0.55
ORAI1 Q96D31 2/20 0.55
NPSR1 Q6W5P4 4/20 0.52
SMN1; SMN2 Q16637 9/20 0.52
LMNA P02545 6/20 0.52
MAPT P10636 2/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
ALDH1A1 P00352 3/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
STAT3 P40763 1/20 0.52
TDP1 Q9NUW8 1/20 0.48
CACNA1G O43497 3/20 0.46
CACNA1I Q9P0X4 3/20 0.46
CACNA1H O95180 2/20 0.46
ORAI3 Q9BRQ5 1/20 0.46
HTT P42858 3/20 0.46

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
SCHEMBL758373 0.91 STIM1 (0.68) EGFRSTIM1ORAI1NPSR1SMN1; SMN2
SCHEMBL759251 0.90 EGFR (0.62) EGFRSTIM1ORAI1NPSR1SMN1; SMN2
SCHEMBL755509 0.88 STIM1 (0.70) EGFRSTIM1ORAI1NPSR1SMN1; SMN2
SCHEMBL755797 0.86 EGFR (0.63) EGFRNPSR1SMN1; SMN2LMNAMAPT
SCHEMBL760784 0.85 STIM1 (0.72) EGFRSTIM1ORAI1NPSR1SMN1; SMN2
SCHEMBL757813 0.84 STIM1 (0.74) EGFRSTIM1ORAI1NPSR1SMN1; SMN2
SCHEMBL759169 0.83 STIM1 (0.80) EGFRSTIM1ORAI1NPSR1SMN1; SMN2
SCHEMBL759238 0.83 STIM1 (0.59) EGFRSTIM1ORAI1NPSR1SMN1; SMN2
SCHEMBL24336238 0.82 SMN1; SMN2 (0.64) EGFRSTIM1ORAI1NPSR1SMN1; SMN2
SCHEMBL757149 0.82 STIM1 (0.62) EGFRSTIM1ORAI1NPSR1SMN1; 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 EGFR 4607/4885STIM1 33/4885ORAI1 1/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 EGFR 3784/4885STIM1 2564/4885ORAI1 3127/4885

“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.