SCHEMBL758359

SCHEMBL758359

Cc1ccccc1Cn1ccc(NC(=O)c2c(Cl)cccc2Cl)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.66
MAPT P10636 2/20 0.59
KDM4E B2RXH2 2/20 0.59
CACNA1G O43497 2/20 0.58
CACNA1H O95180 2/20 0.58
CACNA1I Q9P0X4 2/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
KMT2A Q03164 3/20 0.58
NPSR1 Q6W5P4 1/20 0.57
ALDH1A1 P00352 3/20 0.56
POLB P06746 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
EGFR P00533 1/20 0.50
STAT3 P40763 1/20 0.49
STIM1 Q13586 2/20 0.48
ORAI1 Q96D31 2/20 0.48
ORAI3 Q9BRQ5 1/20 0.48
MEN1 O00255 2/20 0.48

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
SCHEMBL757452 0.86 STIM1 (0.61) LMNAMAPTKDM4ECACNA1GCACNA1H
SCHEMBL757534 0.84 STIM1 (0.62) LMNAMAPTCACNA1GCACNA1HCACNA1I
SCHEMBL759238 0.83 STIM1 (0.59) LMNAMAPTCACNA1GCACNA1HCACNA1I
SCHEMBL756929 0.81 SMN1; SMN2 (0.52) LMNAMAPTCACNA1GCACNA1HCACNA1I
SCHEMBL30096545 0.81 SMN1; SMN2 (0.54) LMNAMAPTCACNA1GCACNA1HCACNA1I
SCHEMBL757367 0.81 SMN1; SMN2 (0.54) LMNAMAPTCACNA1GCACNA1HCACNA1I
SCHEMBL3439964 0.81 CACNA1G (0.64) LMNAMAPTKDM4ECACNA1GCACNA1H
SCHEMBL756045 0.81 SMN1; SMN2 (0.54) LMNAMAPTCACNA1GCACNA1HCACNA1I
SCHEMBL756476 0.79 NPSR1 (0.62) LMNAMAPTKDM4ECACNA1GCACNA1H
SCHEMBL755797 0.79 EGFR (0.63) LMNAMAPTKDM4ECACNA1GCACNA1H

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 12 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 claimed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US claimed
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 LMNA 857/4885MAPT 2886/4885KDM4E 2633/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 LMNA 4198/4885MAPT 1336/4885KDM4E 1410/4885

“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.