SCHEMBL755797

SCHEMBL755797

Cc1ccccc1C(=O)Nc1ccn(Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.63
LMNA P02545 4/20 0.52
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
CACNA1G O43497 4/20 0.50
CACNA1H O95180 4/20 0.50
CACNA1I Q9P0X4 4/20 0.50
NPSR1 Q6W5P4 2/20 0.49
HTT P42858 2/20 0.48
ALOX15 P16050 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 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
SCHEMBL759251 0.90 EGFR (0.62) EGFRLMNANPC1RAB9ASMN1; SMN2
SCHEMBL756222 0.90 STIM1 (0.58) EGFRLMNANPC1RAB9ASMN1; SMN2
SCHEMBL758378 0.86 EGFR (0.72) EGFRLMNANPC1RAB9ASMN1; SMN2
SCHEMBL759238 0.83 STIM1 (0.59) EGFRLMNANPC1RAB9ASMN1; SMN2
SCHEMBL24335574 0.82 LMNA (0.58) LMNANPC1RAB9ASMN1; SMN2CACNA1G
SCHEMBL10241263 0.81 EGFR (0.66) EGFRLMNANPC1RAB9ASMN1; SMN2
SCHEMBL757149 0.80 STIM1 (0.62) EGFRLMNANPC1RAB9ASMN1; SMN2
SCHEMBL755899 0.80 STIM1 (0.74) EGFRLMNANPC1RAB9ASMN1; SMN2
SCHEMBL758359 0.79 LMNA (0.66) EGFRLMNANPC1RAB9ASMN1; SMN2
SCHEMBL755509 0.79 STIM1 (0.70) EGFRLMNANPC1RAB9ASMN1; 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 4607/4885LMNA 857/4885NPC1 1464/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 EGFR 3784/4885LMNA 4198/4885NPC1 433/4885

“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.