SCHEMBL758485

SCHEMBL758485

COc1ccc(Cn2ccc(NC(=O)c3ccncc3F)n2)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 4/20 0.54
ORAI1 Q96D31 4/20 0.54
ORAI3 Q9BRQ5 1/20 0.54
EPHX2 P34913 11/20 0.45
KLKB1 P03952 1/20 0.44
RIPK1 Q13546 1/20 0.43
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TRPC1 P48995 1/20 0.41
TRPC3 Q13507 1/20 0.41
PPARG P37231 2/20 0.40
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
SCHEMBL756919 0.91 STIM1 (0.50) STIM1ORAI1ORAI3EPHX2KLKB1
SCHEMBL761267 0.90 STIM1 (0.49) STIM1ORAI1ORAI3EPHX2KLKB1
SCHEMBL755784 0.89 STIM1 (0.61) STIM1ORAI1ORAI3EPHX2KLKB1
SCHEMBL759966 0.87 STIM1 (0.71) STIM1ORAI1ORAI3RIPK1LMNA
SCHEMBL696552 0.87 SMN1; SMN2 (0.53) STIM1ORAI1ORAI3EPHX2KLKB1
SCHEMBL3064478 0.86 STIM1 (0.57) STIM1ORAI1ORAI3RIPK1LMNA
SCHEMBL699419 0.86 STIM1 (0.57) STIM1ORAI1ORAI3RIPK1LMNA
SCHEMBL758944 0.84 STIM1 (0.76) STIM1ORAI1ORAI3EPHX2KLKB1
SCHEMBL760682 0.84 STIM1 (0.54) STIM1ORAI1ORAI3EPHX2KLKB1
SCHEMBL758160 0.83 STIM1 (0.54) STIM1ORAI1ORAI3RIPK1LMNA

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.