SCHEMBL756919

SCHEMBL756919

COc1ccc(Cn2ccc(NC(=O)c3ccncc3C)n2)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.50
ORAI1 Q96D31 2/20 0.50
ORAI3 Q9BRQ5 1/20 0.50
KLKB1 P03952 1/20 0.46
EPHX2 P34913 8/20 0.45
RIPK1 Q13546 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
APP P05067 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
SNCA P37840 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
DGAT2 Q96PD7 1/20 0.40

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
SCHEMBL758485 0.91 STIM1 (0.54) STIM1ORAI1ORAI3KLKB1EPHX2
SCHEMBL761267 0.90 STIM1 (0.49) STIM1ORAI1ORAI3KLKB1EPHX2
SCHEMBL760682 0.89 STIM1 (0.54) STIM1ORAI1ORAI3KLKB1EPHX2
SCHEMBL758607 0.88 STIM1 (0.65) STIM1ORAI1ORAI3RIPK1NPSR1
SCHEMBL759772 0.87 STIM1 (0.52) STIM1ORAI1ORAI3RIPK1NPSR1
SCHEMBL705896 0.87 STIM1 (0.52) STIM1ORAI1ORAI3RIPK1NPSR1
SCHEMBL696552 0.87 SMN1; SMN2 (0.53) STIM1ORAI1ORAI3KLKB1EPHX2
Hydrochloric Acid SCHEMBL758582 0.86 STIM1 (0.51) STIM1ORAI1ORAI3RIPK1NPSR1
Hydrochloric Acid SCHEMBL755387 0.86 STIM1 (0.51) STIM1ORAI1ORAI3RIPK1NPSR1
SCHEMBL758185 0.84 STIM1 (0.49) STIM1ORAI1ORAI3RIPK1NPSR1

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.